CID 3059273

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

Structural Information

Molecular Formula
C13H19N3O3
SMILES
CC1=CC=CC=C1NC(=O)N(CC(C)(C)O)C(=O)N
InChI
InChI=1S/C13H19N3O3/c1-9-6-4-5-7-10(9)15-12(18)16(11(14)17)8-13(2,3)19/h4-7,19H,8H2,1-3H3,(H2,14,17)(H,15,18)
InChIKey
LQRQZIFARSYOBP-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.14264 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.149916 161.9
[M+Na]+ 288.131858 166.1
[M-H]- 264.135364 165.0
[M+NH4]+ 283.176463 177.2
[M+K]+ 304.105798 165.6
[M+H-H2O]+ 248.139900 155.0
[M+HCOO]- 310.140841 184.0
[M+CH3COO]- 324.156491 204.6
[M+Na-2H]- 286.117306 164.3
[M]+ 265.14209142 160.5
[M]- 265.14318858 160.5
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