CID 4528174

27559-51-9

Structural Information

Molecular Formula
C27H22N2O2
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H22N2O2/c30-26(22-7-3-1-4-8-22)28-24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)29-27(31)23-9-5-2-6-10-23/h1-18H,19H2,(H,28,30)(H,29,31)
InChIKey
LKVQICUSBIMQQN-UHFFFAOYSA-N
Compound name
N-[4-[(4-benzamidophenyl)methyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

406.16812 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.17540 199.3
[M+Na]+ 429.15734 202.4
[M-H]- 405.16084 210.7
[M+NH4]+ 424.20194 207.5
[M+K]+ 445.13128 195.8
[M+H-H2O]+ 389.16538 187.4
[M+HCOO]- 451.16632 222.0
[M+CH3COO]- 465.18197 207.5
[M+Na-2H]- 427.14279 202.4
[M]+ 406.16757 196.5
[M]- 406.16867 196.5
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