CID 5228738

4,4'-methylenebis(1-methyl-3-phenylurea)

Structural Information

Molecular Formula
C17H20N4O2
SMILES
CNC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NC
InChI
InChI=1S/C17H20N4O2/c1-18-16(22)20-14-7-3-12(4-8-14)11-13-5-9-15(10-6-13)21-17(23)19-2/h3-10H,11H2,1-2H3,(H2,18,20,22)(H2,19,21,23)
InChIKey
URHYYNIWSKTHNX-UHFFFAOYSA-N
Compound name
1-methyl-3-[4-[[4-(methylcarbamoylamino)phenyl]methyl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

312.15863 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16591 173.6
[M+Na]+ 335.14785 177.4
[M-H]- 311.15135 180.2
[M+NH4]+ 330.19245 186.8
[M+K]+ 351.12179 174.1
[M+H-H2O]+ 295.15589 164.4
[M+HCOO]- 357.15683 199.8
[M+CH3COO]- 371.17248 215.5
[M+Na-2H]- 333.13330 177.9
[M]+ 312.15808 171.6
[M]- 312.15918 171.6
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