CID 3059263

1-butyl-5-phenylbiuret

Structural Information

Molecular Formula
C12H17N3O2
SMILES
CCCCN(C(=O)N)C(=O)NC1=CC=CC=C1
InChI
InChI=1S/C12H17N3O2/c1-2-3-9-15(11(13)16)12(17)14-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,13,16)(H,14,17)
InChIKey
UWJFWSRWZXSATG-UHFFFAOYSA-N
Compound name
1-butyl-1-carbamoyl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.13208 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13936 155.5
[M+Na]+ 258.12130 159.3
[M-H]- 234.12480 159.5
[M+NH4]+ 253.16590 172.4
[M+K]+ 274.09524 158.6
[M+H-H2O]+ 218.12934 147.7
[M+HCOO]- 280.13028 180.9
[M+CH3COO]- 294.14593 200.2
[M+Na-2H]- 256.10675 158.6
[M]+ 235.13153 154.4
[M]- 235.13263 154.4
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.