CID 64880

40478-40-8

Structural Information

Molecular Formula
C17H19NO
SMILES
CC(C1=CC=CC=C1)NC(=O)CCC2=CC=CC=C2
InChI
InChI=1S/C17H19NO/c1-14(16-10-6-3-7-11-16)18-17(19)13-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,18,19)
InChIKey
RCLOJLWVCROWJC-UHFFFAOYSA-N
Compound name
3-phenyl-N-(1-phenylethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

253.14667 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.153946 160.8
[M+Na]+ 276.135888 164.9
[M-H]- 252.139394 166.6
[M+NH4]+ 271.180493 176.8
[M+K]+ 292.109828 161.2
[M+H-H2O]+ 236.143930 152.7
[M+HCOO]- 298.144871 183.6
[M+CH3COO]- 312.160521 198.1
[M+Na-2H]- 274.121336 165.1
[M]+ 253.14612142 159.5
[M]- 253.14721858 159.5
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