CID 587175

4-chloro-2',6'-dimethylbenzanilide

Structural Information

Molecular Formula
C15H14ClNO
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H14ClNO/c1-10-4-3-5-11(2)14(10)17-15(18)12-6-8-13(16)9-7-12/h3-9H,1-2H3,(H,17,18)
InChIKey
UMGYFJLITDGKHQ-UHFFFAOYSA-N
Compound name
4-chloro-N-(2,6-dimethylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5
Patents

259.0764 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.08368 157.4
[M+Na]+ 282.06562 166.4
[M-H]- 258.06912 164.5
[M+NH4]+ 277.11022 175.2
[M+K]+ 298.03956 160.9
[M+H-H2O]+ 242.07366 151.0
[M+HCOO]- 304.07460 177.3
[M+CH3COO]- 318.09025 198.4
[M+Na-2H]- 280.05107 161.4
[M]+ 259.07585 159.6
[M]- 259.07695 159.6
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

patents stripe