CID 4364134

91625-84-2

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 176.2
[M+Na]+ 335.14785 184.3
[M+NH4]+ 330.19245 182.0
[M+K]+ 351.12179 178.8
[M-H]- 311.15135 180.8
[M+Na-2H]- 333.13330 183.3
[M]+ 312.15808 178.1
[M]- 312.15918 178.1
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.