CID 518708

13140-83-5

Structural Information

Molecular Formula
C27H24N4O2
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4
InChI
InChI=1S/C27H24N4O2/c32-26(28-22-7-3-1-4-8-22)30-24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)31-27(33)29-23-9-5-2-6-10-23/h1-18H,19H2,(H2,28,30,32)(H2,29,31,33)
InChIKey
AFGPVXVFZRRJGM-UHFFFAOYSA-N
Compound name
1-phenyl-3-[4-[[4-(phenylcarbamoylamino)phenyl]methyl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

436.1899 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.19718 210.9
[M+Na]+ 459.17912 223.9
[M+NH4]+ 454.22372 217.5
[M+K]+ 475.15306 214.5
[M-H]- 435.18262 221.2
[M+Na-2H]- 457.16457 223.3
[M]+ 436.18935 215.6
[M]- 436.19045 215.6
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