CID 228681

N-benzyl-4-methylbenzamide

Structural Information

Molecular Formula
C15H15NO
SMILES
CC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C15H15NO/c1-12-7-9-14(10-8-12)15(17)16-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17)
InChIKey
QIULRTIURUDCGH-UHFFFAOYSA-N
Compound name
N-benzyl-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

76
Patents

225.11537 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12265 152.3
[M+Na]+ 248.10459 166.5
[M+NH4]+ 243.14919 161.4
[M+K]+ 264.07853 158.2
[M-H]- 224.10809 157.8
[M+Na-2H]- 246.09004 162.4
[M]+ 225.11482 156.0
[M]- 225.11592 156.0
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