CID 4364134

1,2-bis(phenylureido)propane

Structural Information

Molecular Formula
C17H20N4O2
SMILES
CC(CNC(=O)NC1=CC=CC=C1)NC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C17H20N4O2/c1-13(19-17(23)21-15-10-6-3-7-11-15)12-18-16(22)20-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H2,18,20,22)(H2,19,21,23)
InChIKey
GYHDOCBDQLFZSY-UHFFFAOYSA-N
Compound name
1-phenyl-3-[1-(phenylcarbamoylamino)propan-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.15863 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16591 172.8
[M+Na]+ 335.14785 174.3
[M-H]- 311.15135 178.6
[M+NH4]+ 330.19245 185.2
[M+K]+ 351.12179 171.6
[M+H-H2O]+ 295.15589 163.3
[M+HCOO]- 357.15683 198.0
[M+CH3COO]- 371.17248 213.9
[M+Na-2H]- 333.13330 177.4
[M]+ 312.15808 169.3
[M]- 312.15918 169.3
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.