CID 3079612

N-(4-(beta-phenylethyl)phenacyl)formamide

Structural Information

Molecular Formula
C17H17NO2
SMILES
C1=CC=C(C=C1)CCC2=CC=C(C=C2)C(=O)CNC=O
InChI
InChI=1S/C17H17NO2/c19-13-18-12-17(20)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11,13H,6-7,12H2,(H,18,19)
InChIKey
IONVEHAEGDIFRH-UHFFFAOYSA-N
Compound name
N-[2-oxo-2-[4-(2-phenylethyl)phenyl]ethyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.12592 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13320 162.1
[M+Na]+ 290.11514 167.6
[M-H]- 266.11864 168.2
[M+NH4]+ 285.15974 177.6
[M+K]+ 306.08908 163.3
[M+H-H2O]+ 250.12318 153.8
[M+HCOO]- 312.12412 186.3
[M+CH3COO]- 326.13977 200.3
[M+Na-2H]- 288.10059 166.9
[M]+ 267.12537 162.6
[M]- 267.12647 162.6
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.