CID 363627

Nsc628656

Structural Information

Molecular Formula
C19H19N3O6S
SMILES
CC(=O)C1=C(C2=C(N1)C(=C(C=C2)OC)[N+](=O)[O-])CCNS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H19N3O6S/c1-12(23)17-15(10-11-20-29(26,27)13-6-4-3-5-7-13)14-8-9-16(28-2)19(22(24)25)18(14)21-17/h3-9,20-21H,10-11H2,1-2H3
InChIKey
XOPILLUOEYVAQW-UHFFFAOYSA-N
Compound name
N-[2-(2-acetyl-6-methoxy-7-nitro-1H-indol-3-yl)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.09946 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.10674 193.9
[M+Na]+ 440.08868 199.8
[M-H]- 416.09218 199.6
[M+NH4]+ 435.13328 203.7
[M+K]+ 456.06262 190.9
[M+H-H2O]+ 400.09672 190.4
[M+HCOO]- 462.09766 210.9
[M+CH3COO]- 476.11331 215.9
[M+Na-2H]- 438.07413 199.6
[M]+ 417.09891 197.5
[M]- 417.10001 197.5
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.