CID 25504137

1-benzyl-3-(prop-2-enoyl)urea

Structural Information

Molecular Formula
C11H12N2O2
SMILES
C=CC(=O)NC(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C11H12N2O2/c1-2-10(14)13-11(15)12-8-9-6-4-3-5-7-9/h2-7H,1,8H2,(H2,12,13,14,15)
InChIKey
NPIUYHJLQXOYFZ-UHFFFAOYSA-N
Compound name
N-(benzylcarbamoyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.097146 145.4
[M+Na]+ 227.079088 150.7
[M-H]- 203.082594 148.7
[M+NH4]+ 222.123693 163.5
[M+K]+ 243.053028 148.4
[M+H-H2O]+ 187.087130 138.5
[M+HCOO]- 249.088071 170.4
[M+CH3COO]- 263.103721 188.3
[M+Na-2H]- 225.064536 150.5
[M]+ 204.08932142 143.7
[M]- 204.09041858 143.7
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.