CID 5147890

1-allyl-3-phenylurea

Structural Information

Molecular Formula
C10H12N2O
SMILES
C=CCNC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C10H12N2O/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h2-7H,1,8H2,(H2,11,12,13)
InChIKey
MLSKUXJIZZNRSU-UHFFFAOYSA-N
Compound name
1-phenyl-3-prop-2-enylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

176.09496 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 138.1
[M+Na]+ 199.08418 143.8
[M-H]- 175.08768 141.5
[M+NH4]+ 194.12878 157.5
[M+K]+ 215.05812 141.3
[M+H-H2O]+ 159.09222 131.6
[M+HCOO]- 221.09316 164.0
[M+CH3COO]- 235.10881 183.8
[M+Na-2H]- 197.06963 145.1
[M]+ 176.09441 136.1
[M]- 176.09551 136.1
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