CID 23222

1-(4-phenylbutyl)biuret

Structural Information

Molecular Formula
C12H17N3O2
SMILES
C1=CC=C(C=C1)CCCCNC(=O)NC(=O)N
InChI
InChI=1S/C12H17N3O2/c13-11(16)15-12(17)14-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H4,13,14,15,16,17)
InChIKey
NGDIPOJPYNGPNB-UHFFFAOYSA-N
Compound name
1-carbamoyl-3-(4-phenylbutyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

235.13208 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13936 155.7
[M+Na]+ 258.12130 163.3
[M+NH4]+ 253.16590 161.7
[M+K]+ 274.09524 158.4
[M-H]- 234.12480 157.5
[M+Na-2H]- 256.10675 160.2
[M]+ 235.13153 156.7
[M]- 235.13263 156.7
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.