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]+ 268.133196 162.1
[M+Na]+ 290.115138 167.6
[M-H]- 266.118644 168.2
[M+NH4]+ 285.159743 177.6
[M+K]+ 306.089078 163.3
[M+H-H2O]+ 250.123180 153.8
[M+HCOO]- 312.124121 186.3
[M+CH3COO]- 326.139771 200.3
[M+Na-2H]- 288.100586 166.9
[M]+ 267.12537142 162.6
[M]- 267.12646858 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.