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

4
Patents

265.14264 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14992 161.9
[M+Na]+ 288.13186 166.1
[M-H]- 264.13536 165.0
[M+NH4]+ 283.17646 177.2
[M+K]+ 304.10580 165.6
[M+H-H2O]+ 248.13990 155.0
[M+HCOO]- 310.14084 184.0
[M+CH3COO]- 324.15649 204.6
[M+Na-2H]- 286.11731 164.3
[M]+ 265.14209 160.5
[M]- 265.14319 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