CID 215771

1,3-dimethyl-5-benzylbiuret

Structural Information

Molecular Formula
C11H15N3O2
SMILES
CC1=CC=CC=C1CNC(=O)N(C)C(=O)N
InChI
InChI=1S/C11H15N3O2/c1-8-5-3-4-6-9(8)7-13-11(16)14(2)10(12)15/h3-6H,7H2,1-2H3,(H2,12,15)(H,13,16)
InChIKey
CGMNDOJOIOAVAU-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-methyl-3-[(2-methylphenyl)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.11642 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12370 150.9
[M+Na]+ 244.10564 156.1
[M-H]- 220.10914 155.5
[M+NH4]+ 239.15024 168.7
[M+K]+ 260.07958 155.7
[M+H-H2O]+ 204.11368 143.6
[M+HCOO]- 266.11462 176.6
[M+CH3COO]- 280.13027 198.4
[M+Na-2H]- 242.09109 153.8
[M]+ 221.11587 149.8
[M]- 221.11697 149.8
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

No patent data available for this compound.