CID 468763

Schembl8938489

Structural Information

Molecular Formula
C18H17ClN2O2S
SMILES
COCCNC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)SC3=CC=CC=C3
InChI
InChI=1S/C18H17ClN2O2S/c1-23-10-9-20-18(22)16-17(24-13-5-3-2-4-6-13)14-11-12(19)7-8-15(14)21-16/h2-8,11,21H,9-10H2,1H3,(H,20,22)
InChIKey
BLGBNPORRCDOBN-UHFFFAOYSA-N
Compound name
5-chloro-N-(2-methoxyethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

360.06992 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.07720 181.3
[M+Na]+ 383.05914 190.9
[M-H]- 359.06264 187.0
[M+NH4]+ 378.10374 196.4
[M+K]+ 399.03308 183.3
[M+H-H2O]+ 343.06718 174.6
[M+HCOO]- 405.06812 194.7
[M+CH3COO]- 419.08377 192.1
[M+Na-2H]- 381.04459 182.8
[M]+ 360.06937 188.1
[M]- 360.07047 188.1
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

patents stripe