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 162.2
[M+Na]+ 288.13186 168.8
[M+NH4]+ 283.17646 167.0
[M+K]+ 304.10580 166.6
[M-H]- 264.13536 162.6
[M+Na-2H]- 286.11731 165.4
[M]+ 265.14209 162.6
[M]- 265.14319 162.6
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