CID 3071692

138349-55-0

Structural Information

Molecular Formula
C22H17ClN2O
SMILES
CC1=C(N(C2=CC=CC=C12)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H17ClN2O/c1-15-19-9-5-6-10-20(19)25(18-7-3-2-4-8-18)21(15)24-22(26)16-11-13-17(23)14-12-16/h2-14H,1H3,(H,24,26)
InChIKey
AULWBXLMKGMBPQ-UHFFFAOYSA-N
Compound name
4-chloro-N-(3-methyl-1-phenylindol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.10294 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.11022 186.2
[M+Na]+ 383.09216 196.4
[M-H]- 359.09566 196.2
[M+NH4]+ 378.13676 200.8
[M+K]+ 399.06610 188.2
[M+H-H2O]+ 343.10020 177.0
[M+HCOO]- 405.10114 205.4
[M+CH3COO]- 419.11679 197.6
[M+Na-2H]- 381.07761 189.3
[M]+ 360.10239 190.2
[M]- 360.10349 190.2
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

No patent data available for this compound.