CID 16072856

Chembl210493

Structural Information

Molecular Formula
C19H19ClN2O2S
SMILES
CC1=CC(=CC(=C1)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCCO)C
InChI
InChI=1S/C19H19ClN2O2S/c1-11-7-12(2)9-14(8-11)25-18-15-10-13(20)3-4-16(15)22-17(18)19(24)21-5-6-23/h3-4,7-10,22-23H,5-6H2,1-2H3,(H,21,24)
InChIKey
DNSPBDIYTPVNIU-UHFFFAOYSA-N
Compound name
5-chloro-3-(3,5-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

374.08557 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.09285 186.0
[M+Na]+ 397.07479 196.2
[M-H]- 373.07829 190.8
[M+NH4]+ 392.11939 200.3
[M+K]+ 413.04873 187.8
[M+H-H2O]+ 357.08283 179.9
[M+HCOO]- 419.08377 197.4
[M+CH3COO]- 433.09942 196.2
[M+Na-2H]- 395.06024 185.2
[M]+ 374.08502 192.1
[M]- 374.08612 192.1
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.