CID 3059268

1-tert-butyl-3-methyl-5-phenylbiuret

Structural Information

Molecular Formula
C13H19N3O2
SMILES
CC1=CC=CC=C1NC(=O)N(C(=O)N)C(C)(C)C
InChI
InChI=1S/C13H19N3O2/c1-9-7-5-6-8-10(9)15-12(18)16(11(14)17)13(2,3)4/h5-8H,1-4H3,(H2,14,17)(H,15,18)
InChIKey
IYEFJBZXJPNGIQ-UHFFFAOYSA-N
Compound name
1-tert-butyl-1-carbamoyl-3-(2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

249.14772 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15500 159.2
[M+Na]+ 272.13694 164.0
[M-H]- 248.14044 163.8
[M+NH4]+ 267.18154 176.1
[M+K]+ 288.11088 163.7
[M+H-H2O]+ 232.14498 152.3
[M+HCOO]- 294.14592 182.7
[M+CH3COO]- 308.16157 204.1
[M+Na-2H]- 270.12239 161.9
[M]+ 249.14717 158.2
[M]- 249.14827 158.2
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

patents stripe