CID 518708

Urea, n,n''-(methylenedi-4,1-phenylene)bis(n'-phenyl-

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 202.7
[M+Na]+ 459.17912 204.3
[M-H]- 435.18262 214.1
[M+NH4]+ 454.22372 209.2
[M+K]+ 475.15306 198.3
[M+H-H2O]+ 419.18716 190.5
[M+HCOO]- 481.18810 227.6
[M+CH3COO]- 495.20375 210.0
[M+Na-2H]- 457.16457 207.7
[M]+ 436.18935 198.8
[M]- 436.19045 198.8
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