CID 506880

Chembl81097

Structural Information

Molecular Formula
C15H12ClN3O3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NN
InChI
InChI=1S/C15H12ClN3O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(20)19-17)23(21,22)10-4-2-1-3-5-10/h1-8,18H,17H2,(H,19,20)
InChIKey
AHYSABJOPKIPCK-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-5-chloro-1H-indole-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

8
Patents

349.02878 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.03606 176.4
[M+Na]+ 372.01800 186.8
[M-H]- 348.02150 182.4
[M+NH4]+ 367.06260 191.1
[M+K]+ 387.99194 179.6
[M+H-H2O]+ 332.02604 170.5
[M+HCOO]- 394.02698 190.0
[M+CH3COO]- 408.04263 207.6
[M+Na-2H]- 370.00345 180.3
[M]+ 349.02823 180.1
[M]- 349.02933 180.1
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