CID 4194628

4,4'-bis(3-methyl-3-phenylureido)diphenylmethane

Structural Information

Molecular Formula
C29H28N4O2
SMILES
CN(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)N(C)C4=CC=CC=C4
InChI
InChI=1S/C29H28N4O2/c1-32(26-9-5-3-6-10-26)28(34)30-24-17-13-22(14-18-24)21-23-15-19-25(20-16-23)31-29(35)33(2)27-11-7-4-8-12-27/h3-20H,21H2,1-2H3,(H,30,34)(H,31,35)
InChIKey
ROMSIWWKBJEJKA-UHFFFAOYSA-N
Compound name
1-methyl-3-[4-[[4-[[methyl(phenyl)carbamoyl]amino]phenyl]methyl]phenyl]-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

464.22122 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.22850 214.5
[M+Na]+ 487.21044 215.2
[M-H]- 463.21394 228.1
[M+NH4]+ 482.25504 220.9
[M+K]+ 503.18438 211.6
[M+H-H2O]+ 447.21848 201.4
[M+HCOO]- 509.21942 239.5
[M+CH3COO]- 523.23507 248.9
[M+Na-2H]- 485.19589 216.6
[M]+ 464.22067 213.5
[M]- 464.22177 213.5
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

patents stripe