CID 468769

Schembl8938230

Structural Information

Molecular Formula
C18H17ClN2O2S
SMILES
C[C@H](CNC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)SC3=CC=CC=C3)O
InChI
InChI=1S/C18H17ClN2O2S/c1-11(22)10-20-18(23)16-17(24-13-5-3-2-4-6-13)14-9-12(19)7-8-15(14)21-16/h2-9,11,21-22H,10H2,1H3,(H,20,23)/t11-/m1/s1
InChIKey
URJBJLXZJZPBPZ-LLVKDONJSA-N
Compound name
5-chloro-N-[(2R)-2-hydroxypropyl]-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

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.07720 180.7
[M+Na]+ 383.05914 189.4
[M-H]- 359.06264 185.1
[M+NH4]+ 378.10374 195.0
[M+K]+ 399.03308 181.6
[M+H-H2O]+ 343.06718 174.6
[M+HCOO]- 405.06812 191.5
[M+CH3COO]- 419.08377 190.7
[M+Na-2H]- 381.04459 180.9
[M]+ 360.06937 185.2
[M]- 360.07047 185.2
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