CID 48367

1-benzylbiuret

Structural Information

Molecular Formula
C9H11N3O2
SMILES
C1=CC=C(C=C1)CNC(=O)NC(=O)N
InChI
InChI=1S/C9H11N3O2/c10-8(13)12-9(14)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,10,11,12,13,14)
InChIKey
VHZFQGVFPZEVFG-UHFFFAOYSA-N
Compound name
1-benzyl-3-carbamoylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

193.08513 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 141.1
[M+Na]+ 216.074348 146.1
[M-H]- 192.077854 144.2
[M+NH4]+ 211.118953 159.0
[M+K]+ 232.048288 144.6
[M+H-H2O]+ 176.082390 134.0
[M+HCOO]- 238.083331 167.0
[M+CH3COO]- 252.098981 187.8
[M+Na-2H]- 214.059796 146.6
[M]+ 193.08458142 137.6
[M]- 193.08567858 137.6
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