CID 9567676

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

Structural Information

Molecular Formula
C16H16Cl3N3O5
SMILES
CC(=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/C16H16Cl3N3O5/c1-6(24)21-20-4-8-7-2-9(17)10(18)3-11(7)22(15(8)19)16-14(26)13(25)12(5-23)27-16/h2-4,12-14,16,23,25-26H,5H2,1H3,(H,21,24)/b20-4+/t12-,13-,14-,16-/m1/s1
InChIKey
YZEOGUDFUWSXFB-XKODNMHPSA-N
Compound name
N-[(E)-[2,5,6-trichloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]indol-3-yl]methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

435.01556 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.02284 198.5
[M+Na]+ 458.00478 208.9
[M-H]- 434.00828 202.9
[M+NH4]+ 453.04938 210.7
[M+K]+ 473.97872 203.4
[M+H-H2O]+ 418.01282 194.6
[M+HCOO]- 480.01376 203.8
[M+CH3COO]- 494.02941 225.3
[M+Na-2H]- 455.99023 194.8
[M]+ 435.01501 204.9
[M]- 435.01611 204.9
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.