CID 23219

1-(2-phenylethyl)biuret

Structural Information

Molecular Formula
C10H13N3O2
SMILES
C1=CC=C(C=C1)CCNC(=O)NC(=O)N
InChI
InChI=1S/C10H13N3O2/c11-9(14)13-10(15)12-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,11,12,13,14,15)
InChIKey
ZRJREXHTQPGADY-UHFFFAOYSA-N
Compound name
1-carbamoyl-3-(2-phenylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.10077 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.108046 145.6
[M+Na]+ 230.089988 150.1
[M-H]- 206.093494 148.5
[M+NH4]+ 225.134593 163.0
[M+K]+ 246.063928 148.5
[M+H-H2O]+ 190.098030 138.4
[M+HCOO]- 252.098971 171.1
[M+CH3COO]- 266.114621 190.8
[M+Na-2H]- 228.075436 150.6
[M]+ 207.10022142 142.5
[M]- 207.10131858 142.5
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

No patent data available for this compound.