CID 4414333

4,4'-methylenebis(3-phenyl-1-propylurea)

Structural Information

Molecular Formula
C21H28N4O2
SMILES
CCCNC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NCCC
InChI
InChI=1S/C21H28N4O2/c1-3-13-22-20(26)24-18-9-5-16(6-10-18)15-17-7-11-19(12-8-17)25-21(27)23-14-4-2/h5-12H,3-4,13-15H2,1-2H3,(H2,22,24,26)(H2,23,25,27)
InChIKey
QNBYQWIBLYSLFZ-UHFFFAOYSA-N
Compound name
1-propyl-3-[4-[[4-(propylcarbamoylamino)phenyl]methyl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.22122 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.22850 194.0
[M+Na]+ 391.21044 202.4
[M+NH4]+ 386.25504 199.3
[M+K]+ 407.18438 195.4
[M-H]- 367.21394 198.8
[M+Na-2H]- 389.19589 200.0
[M]+ 368.22067 196.0
[M]- 368.22177 196.0
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

No patent data available for this compound.