CID 510651

Chembl127048

Structural Information

Molecular Formula
C19H19ClN4O4S
SMILES
CC1=CC(=CC(=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCC(=O)NN)C
InChI
InChI=1S/C19H19ClN4O4S/c1-10-5-11(2)7-13(6-10)29(27,28)18-14-8-12(20)3-4-15(14)23-17(18)19(26)22-9-16(25)24-21/h3-8,23H,9,21H2,1-2H3,(H,22,26)(H,24,25)
InChIKey
AHWPGWNNWNQYNI-UHFFFAOYSA-N
Compound name
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-hydrazinyl-2-oxoethyl)-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

434.08154 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.08882 199.9
[M+Na]+ 457.07076 208.5
[M-H]- 433.07426 205.8
[M+NH4]+ 452.11536 210.9
[M+K]+ 473.04470 201.8
[M+H-H2O]+ 417.07880 193.5
[M+HCOO]- 479.07974 212.3
[M+CH3COO]- 493.09539 229.3
[M+Na-2H]- 455.05621 200.9
[M]+ 434.08099 205.0
[M]- 434.08209 205.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.