CID 458362

2-benzylbenzamide

Structural Information

Molecular Formula
C14H13NO
SMILES
C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)N
InChI
InChI=1S/C14H13NO/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,15,16)
InChIKey
OPUPBQQWLWFCPU-UHFFFAOYSA-N
Compound name
2-benzylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

417
Patents

211.09972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10700 146.7
[M+Na]+ 234.08894 153.4
[M-H]- 210.09244 152.9
[M+NH4]+ 229.13354 164.6
[M+K]+ 250.06288 149.5
[M+H-H2O]+ 194.09698 139.4
[M+HCOO]- 256.09792 170.9
[M+CH3COO]- 270.11357 189.4
[M+Na-2H]- 232.07439 152.2
[M]+ 211.09917 144.6
[M]- 211.10027 144.6
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.