PubChemLite - 1h-indole-3-carboxaldehyde, 2,5,6-trichloro-1-b-d-ribofuranosyl-, dimethylhydrazone (C16H18Cl3N3O4)

Structural Information

Molecular Formula

SMILES

CN(C)/N=C/C1=C(N(C2=CC(=C(C=C21)Cl)Cl)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl

InChI

InChI=1S/C16H18Cl3N3O4/c1-21(2)20-5-8-7-3-9(17)10(18)4-11(7)22(15(8)19)16-14(25)13(24)12(6-23)26-16/h3-5,12-14,16,23-25H,6H2,1-2H3/b20-5+/t12-,13-,14-,16-/m1/s1

InChIKey

SLOWIEFADADHMU-TXMPWXBFSA-N

Compound name

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[2,5,6-trichloro-3-[(E)-(dimethylhydrazinylidene)methyl]indol-1-yl]oxolane-3,4-diol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	422.04358	197.9
[M+Na]+	444.02552	208.7
[M-H]-	420.02902	203.4
[M+NH4]+	439.07012	211.4
[M+K]+	459.99946	203.6
[M+H-H2O]+	404.03356	193.6
[M+HCOO]-	466.03450	204.2
[M+CH3COO]-	480.05015	226.2
[M+Na-2H]-	442.01097	194.1
[M]+	421.03575	205.3
[M]-	421.03685	205.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

422.04358

197.9

[M+Na]+

444.02552

208.7

[M-H]-

420.02902

203.4

[M+NH4]+

439.07012

211.4

[M+K]+

459.99946

203.6

[M+H-H2O]+

404.03356

193.6

[M+HCOO]-

466.03450

204.2

[M+CH3COO]-

480.05015

226.2

[M+Na-2H]-

442.01097

194.1

[M]+

421.03575

205.3

[M]-

421.03685

205.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1h-indole-3-carboxaldehyde, 2,5,6-trichloro-1-b-d-ribofuranosyl-, dimethylhydrazone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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