CID 506861

Chembl79468

Structural Information

Molecular Formula
C15H11Cl2N3OS
SMILES
C1=CC(=CC=C1SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)NN)Cl
InChI
InChI=1S/C15H11Cl2N3OS/c16-8-1-4-10(5-2-8)22-14-11-7-9(17)3-6-12(11)19-13(14)15(21)20-18/h1-7,19H,18H2,(H,20,21)
InChIKey
OGMUKSOTPDBIFD-UHFFFAOYSA-N
Compound name
5-chloro-3-(4-chlorophenyl)sulfanyl-1H-indole-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

8
Patents

351.0 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.00728 175.0
[M+Na]+ 373.98922 186.3
[M-H]- 349.99272 180.3
[M+NH4]+ 369.03382 190.7
[M+K]+ 389.96316 177.6
[M+H-H2O]+ 333.99726 169.8
[M+HCOO]- 395.99820 184.4
[M+CH3COO]- 410.01385 185.9
[M+Na-2H]- 371.97467 176.2
[M]+ 350.99945 179.5
[M]- 351.00055 179.5
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

patents stripe