CID 83178

13145-01-2

Structural Information

Molecular Formula
C23H22N2O2
SMILES
CC(=O)NC1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C
InChI
InChI=1S/C23H22N2O2/c1-16(26)24-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)25-17(2)27/h3-15,23H,1-2H3,(H,24,26)(H,25,27)
InChIKey
OPJRKWVQWFDDIY-UHFFFAOYSA-N
Compound name
N-[4-[(4-acetamidophenyl)-phenylmethyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.16812 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.175396 187.7
[M+Na]+ 381.157338 191.2
[M-H]- 357.160844 196.7
[M+NH4]+ 376.201943 198.7
[M+K]+ 397.131278 186.5
[M+H-H2O]+ 341.165380 177.6
[M+HCOO]- 403.166321 210.0
[M+CH3COO]- 417.181971 221.0
[M+Na-2H]- 379.142786 189.3
[M]+ 358.16757142 185.9
[M]- 358.16866858 185.9
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.