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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.