CID 576970

N-(3,4-dimethylphenyl)-3-methylbenzamide

Structural Information

Molecular Formula
C16H17NO
SMILES
CC1=CC(=CC=C1)C(=O)NC2=CC(=C(C=C2)C)C
InChI
InChI=1S/C16H17NO/c1-11-5-4-6-14(9-11)16(18)17-15-8-7-12(2)13(3)10-15/h4-10H,1-3H3,(H,17,18)
InChIKey
NLVDLHCAQOOWCC-UHFFFAOYSA-N
Compound name
N-(3,4-dimethylphenyl)-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

239.13101 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13829 154.9
[M+Na]+ 262.12023 162.7
[M-H]- 238.12373 162.2
[M+NH4]+ 257.16483 172.6
[M+K]+ 278.09417 158.8
[M+H-H2O]+ 222.12827 147.6
[M+HCOO]- 284.12921 179.1
[M+CH3COO]- 298.14486 197.7
[M+Na-2H]- 260.10568 158.9
[M]+ 239.13046 155.2
[M]- 239.13156 155.2
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