CID 506883

Chembl79337

Structural Information

Molecular Formula
C15H11Cl2N3O3S
SMILES
C1=CC(=CC=C1S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NN)Cl
InChI
InChI=1S/C15H11Cl2N3O3S/c16-8-1-4-10(5-2-8)24(22,23)14-11-7-9(17)3-6-12(11)19-13(14)15(21)20-18/h1-7,19H,18H2,(H,20,21)
InChIKey
WSYFLSHXCFHZIG-UHFFFAOYSA-N
Compound name
5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

382.9898 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.99708 182.9
[M+Na]+ 405.97902 194.2
[M-H]- 381.98252 188.6
[M+NH4]+ 401.02362 197.0
[M+K]+ 421.95296 186.4
[M+H-H2O]+ 365.98706 178.0
[M+HCOO]- 427.98800 191.4
[M+CH3COO]- 442.00365 213.0
[M+Na-2H]- 403.96447 185.4
[M]+ 382.98925 188.2
[M]- 382.99035 188.2
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

patents stripe