CID 16072861

Chembl207156

Structural Information

Molecular Formula
C18H18ClN3O2S
SMILES
CC1=CC=CC=C1SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)NNCCO
InChI
InChI=1S/C18H18ClN3O2S/c1-11-4-2-3-5-15(11)25-17-13-10-12(19)6-7-14(13)21-16(17)18(24)22-20-8-9-23/h2-7,10,20-21,23H,8-9H2,1H3,(H,22,24)
InChIKey
DSFFQROWJJBIHS-UHFFFAOYSA-N
Compound name
5-chloro-N'-(2-hydroxyethyl)-3-(2-methylphenyl)sulfanyl-1H-indole-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

375.0808 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.08808 183.7
[M+Na]+ 398.07002 192.7
[M-H]- 374.07352 188.3
[M+NH4]+ 393.11462 197.4
[M+K]+ 414.04396 184.4
[M+H-H2O]+ 358.07806 177.3
[M+HCOO]- 420.07900 196.5
[M+CH3COO]- 434.09465 193.6
[M+Na-2H]- 396.05547 185.2
[M]+ 375.08025 188.5
[M]- 375.08135 188.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.