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 191.0
[M+Na]+ 391.21044 193.0
[M-H]- 367.21394 196.8
[M+NH4]+ 386.25504 201.8
[M+K]+ 407.18438 188.9
[M+H-H2O]+ 351.21848 181.0
[M+HCOO]- 413.21942 215.9
[M+CH3COO]- 427.23507 227.4
[M+Na-2H]- 389.19589 193.3
[M]+ 368.22067 190.3
[M]- 368.22177 190.3
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.