CID 3013829

Chembl179469

Structural Information

Molecular Formula
C19H20ClN3O2S
SMILES
CC1=CC(=C(C=C1)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)NNCCO)C
InChI
InChI=1S/C19H20ClN3O2S/c1-11-3-6-16(12(2)9-11)26-18-14-10-13(20)4-5-15(14)22-17(18)19(25)23-21-7-8-24/h3-6,9-10,21-22,24H,7-8H2,1-2H3,(H,23,25)
InChIKey
JXPPPODHLYXEAG-UHFFFAOYSA-N
Compound name
5-chloro-3-(2,4-dimethylphenyl)sulfanyl-N'-(2-hydroxyethyl)-1H-indole-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

389.09647 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.10375 189.0
[M+Na]+ 412.08569 198.2
[M-H]- 388.08919 193.7
[M+NH4]+ 407.13029 202.3
[M+K]+ 428.05963 189.8
[M+H-H2O]+ 372.09373 182.6
[M+HCOO]- 434.09467 201.3
[M+CH3COO]- 448.11032 218.8
[M+Na-2H]- 410.07114 189.1
[M]+ 389.09592 194.5
[M]- 389.09702 194.5
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