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]+ 313.165906 172.8
[M+Na]+ 335.147848 174.3
[M-H]- 311.151354 178.6
[M+NH4]+ 330.192453 185.2
[M+K]+ 351.121788 171.6
[M+H-H2O]+ 295.155890 163.3
[M+HCOO]- 357.156831 198.0
[M+CH3COO]- 371.172481 213.9
[M+Na-2H]- 333.133296 177.4
[M]+ 312.15808142 169.3
[M]- 312.15917858 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.