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

literature stripe

Patent stripe

patents stripe