CID 506862

Chembl314269

Structural Information

Molecular Formula
C15H12Cl2N4OS
SMILES
C1=CC(=C(C=C1Cl)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)NN)N
InChI
InChI=1S/C15H12Cl2N4OS/c16-7-2-4-11-9(5-7)14(13(20-11)15(22)21-19)23-12-6-8(17)1-3-10(12)18/h1-6,20H,18-19H2,(H,21,22)
InChIKey
ZMXYHODQERKWSZ-UHFFFAOYSA-N
Compound name
3-(2-amino-5-chlorophenyl)sulfanyl-5-chloro-1H-indole-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

366.0109 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.01818 179.2
[M+Na]+ 389.00012 190.3
[M-H]- 365.00362 184.2
[M+NH4]+ 384.04472 193.8
[M+K]+ 404.97406 181.4
[M+H-H2O]+ 349.00816 174.0
[M+HCOO]- 411.00910 188.9
[M+CH3COO]- 425.02475 189.5
[M+Na-2H]- 386.98557 179.5
[M]+ 366.01035 182.5
[M]- 366.01145 182.5
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.