CID 9567675

1h-indole-3-carboxaldehyde, 2,5,6-trichloro-1-b-d-ribofuranosyl-, (methoxycarbonyl)hydrazone

Structural Information

Molecular Formula
C16H16Cl3N3O6
SMILES
COC(=O)N/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/C16H16Cl3N3O6/c1-27-16(26)21-20-4-7-6-2-8(17)9(18)3-10(6)22(14(7)19)15-13(25)12(24)11(5-23)28-15/h2-4,11-13,15,23-25H,5H2,1H3,(H,21,26)/b20-4+/t11-,12-,13-,15-/m1/s1
InChIKey
MXTKNBDNTCUQMV-MFHRDMSVSA-N
Compound name
methyl N-[(E)-[2,5,6-trichloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]indol-3-yl]methylideneamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

451.01047 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.01775 199.5
[M+Na]+ 473.99969 209.6
[M-H]- 450.00319 204.1
[M+NH4]+ 469.04429 211.1
[M+K]+ 489.97363 205.0
[M+H-H2O]+ 434.00773 195.6
[M+HCOO]- 496.00867 205.1
[M+CH3COO]- 510.02432 227.0
[M+Na-2H]- 471.98514 196.3
[M]+ 451.00992 207.3
[M]- 451.01102 207.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.