CID 506879

3-(benzenesulfonyl)-1h-indole-2-carbohydrazide

Structural Information

Molecular Formula
C15H13N3O3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=CC=CC=C32)C(=O)NN
InChI
InChI=1S/C15H13N3O3S/c16-18-15(19)13-14(11-8-4-5-9-12(11)17-13)22(20,21)10-6-2-1-3-7-10/h1-9,17H,16H2,(H,18,19)
InChIKey
LCJUKYVHSZUBCO-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-1H-indole-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

315.06775 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07503 168.9
[M+Na]+ 338.05697 177.9
[M-H]- 314.06047 174.5
[M+NH4]+ 333.10157 183.8
[M+K]+ 354.03091 172.0
[M+H-H2O]+ 298.06501 162.0
[M+HCOO]- 360.06595 187.1
[M+CH3COO]- 374.08160 202.7
[M+Na-2H]- 336.04242 173.9
[M]+ 315.06720 169.9
[M]- 315.06830 169.9
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