CID 3059275

1-(2-methoxyethyl)-3-methyl-5-phenylbiuret

Structural Information

Molecular Formula
C12H17N3O3
SMILES
CC1=CC=CC=C1NC(=O)N(CCOC)C(=O)N
InChI
InChI=1S/C12H17N3O3/c1-9-5-3-4-6-10(9)14-12(17)15(11(13)16)7-8-18-2/h3-6H,7-8H2,1-2H3,(H2,13,16)(H,14,17)
InChIKey
ZWBKWOXEQJNXRQ-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-(2-methoxyethyl)-3-(2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

251.127 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13428 158.1
[M+Na]+ 274.11622 162.7
[M-H]- 250.11972 162.5
[M+NH4]+ 269.16082 174.5
[M+K]+ 290.09016 162.7
[M+H-H2O]+ 234.12426 150.3
[M+HCOO]- 296.12520 183.6
[M+CH3COO]- 310.14085 203.6
[M+Na-2H]- 272.10167 160.5
[M]+ 251.12645 158.7
[M]- 251.12755 158.7
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

patents stripe