CID 95083

N-phenethylbenzamide

Structural Information

Molecular Formula
C15H15NO
SMILES
C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H15NO/c17-15(14-9-5-2-6-10-14)16-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,16,17)
InChIKey
DAVRGGJTJDTVQT-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

481
Patents

225.11537 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12265 151.1
[M+Na]+ 248.10459 156.4
[M-H]- 224.10809 157.2
[M+NH4]+ 243.14919 168.3
[M+K]+ 264.07853 152.6
[M+H-H2O]+ 208.11263 143.3
[M+HCOO]- 270.11357 175.6
[M+CH3COO]- 284.12922 191.3
[M+Na-2H]- 246.09004 157.8
[M]+ 225.11482 149.8
[M]- 225.11592 149.8
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