CID 765482

1,1-diallyl-3-phenylurea

Structural Information

Molecular Formula
C13H16N2O
SMILES
C=CCN(CC=C)C(=O)NC1=CC=CC=C1
InChI
InChI=1S/C13H16N2O/c1-3-10-15(11-4-2)13(16)14-12-8-6-5-7-9-12/h3-9H,1-2,10-11H2,(H,14,16)
InChIKey
WTNHSTMLXCXNDF-UHFFFAOYSA-N
Compound name
3-phenyl-1,1-bis(prop-2-enyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

10
Patents

216.12627 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.133546 151.0
[M+Na]+ 239.115488 155.8
[M-H]- 215.118994 155.3
[M+NH4]+ 234.160093 169.3
[M+K]+ 255.089428 153.4
[M+H-H2O]+ 199.123530 143.7
[M+HCOO]- 261.124471 176.6
[M+CH3COO]- 275.140121 195.5
[M+Na-2H]- 237.100936 155.6
[M]+ 216.12572142 150.6
[M]- 216.12681858 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe