CID 506885

Chembl310464

Structural Information

Molecular Formula
C15H12Cl2N4O3S
SMILES
C1=CC(=C(C=C1Cl)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NN)N
InChI
InChI=1S/C15H12Cl2N4O3S/c16-7-2-4-11-9(5-7)14(13(20-11)15(22)21-19)25(23,24)12-6-8(17)1-3-10(12)18/h1-6,20H,18-19H2,(H,21,22)
InChIKey
HRNOXWPFCDFBRS-UHFFFAOYSA-N
Compound name
3-(2-amino-5-chlorophenyl)sulfonyl-5-chloro-1H-indole-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

398.0007 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.00798 187.0
[M+Na]+ 420.98992 198.1
[M-H]- 396.99342 192.4
[M+NH4]+ 416.03452 200.1
[M+K]+ 436.96386 190.2
[M+H-H2O]+ 380.99796 182.1
[M+HCOO]- 442.99890 195.8
[M+CH3COO]- 457.01455 219.2
[M+Na-2H]- 418.97537 188.7
[M]+ 398.00015 191.1
[M]- 398.00125 191.1
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

No patent data available for this compound.