CID 3059264

1-butyl-3-methyl-5-phenylbiuret

Structural Information

Molecular Formula
C13H19N3O2
SMILES
CCCCN(C(=O)N)C(=O)NC1=CC=CC=C1C
InChI
InChI=1S/C13H19N3O2/c1-3-4-9-16(12(14)17)13(18)15-11-8-6-5-7-10(11)2/h5-8H,3-4,9H2,1-2H3,(H2,14,17)(H,15,18)
InChIKey
RGEOODGFWXUHIL-UHFFFAOYSA-N
Compound name
1-butyl-1-carbamoyl-3-(2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.14772 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15500 160.1
[M+Na]+ 272.13694 164.5
[M-H]- 248.14044 164.4
[M+NH4]+ 267.18154 176.8
[M+K]+ 288.11088 163.6
[M+H-H2O]+ 232.14498 152.4
[M+HCOO]- 294.14592 185.1
[M+CH3COO]- 308.16157 204.5
[M+Na-2H]- 270.12239 162.0
[M]+ 249.14717 159.7
[M]- 249.14827 159.7
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.