CID 23221

1-(3-phenylpropyl)biuret

Structural Information

Molecular Formula
C11H15N3O2
SMILES
C1=CC=C(C=C1)CCCNC(=O)NC(=O)N
InChI
InChI=1S/C11H15N3O2/c12-10(15)14-11(16)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H4,12,13,14,15,16)
InChIKey
NIMUIQUFHMZATH-UHFFFAOYSA-N
Compound name
1-carbamoyl-3-(3-phenylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.11642 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12370 150.1
[M+Na]+ 244.10564 154.2
[M-H]- 220.10914 152.8
[M+NH4]+ 239.15024 166.9
[M+K]+ 260.07958 152.3
[M+H-H2O]+ 204.11368 142.7
[M+HCOO]- 266.11462 175.3
[M+CH3COO]- 280.13027 193.9
[M+Na-2H]- 242.09109 154.6
[M]+ 221.11587 147.3
[M]- 221.11697 147.3
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.