CID 483558

Schembl8938321

Structural Information

Molecular Formula
C18H15ClN2O2S
SMILES
C1CC1NC(=O)C2=C(C3=C(N2)C=CC(=C3)Cl)S(=O)C4=CC=CC=C4
InChI
InChI=1S/C18H15ClN2O2S/c19-11-6-9-15-14(10-11)17(24(23)13-4-2-1-3-5-13)16(21-15)18(22)20-12-7-8-12/h1-6,9-10,12,21H,7-8H2,(H,20,22)
InChIKey
CIBQMJBPNGLUME-UHFFFAOYSA-N
Compound name
3-(benzenesulfinyl)-5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

358.0543 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06158 170.2
[M+Na]+ 381.04352 180.9
[M-H]- 357.04702 179.1
[M+NH4]+ 376.08812 180.3
[M+K]+ 397.01746 172.8
[M+H-H2O]+ 341.05156 164.2
[M+HCOO]- 403.05250 183.6
[M+CH3COO]- 417.06815 181.1
[M+Na-2H]- 379.02897 171.7
[M]+ 358.05375 176.7
[M]- 358.05485 176.7
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