CID 6014490

Cinnamyl n-(p-tolyl)carbamate

Structural Information

Molecular Formula
C17H17NO2
SMILES
CC1=CC=C(C=C1)NC(=O)OC/C=C/C2=CC=CC=C2
InChI
InChI=1S/C17H17NO2/c1-14-9-11-16(12-10-14)18-17(19)20-13-5-8-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,18,19)/b8-5+
InChIKey
LOLJPSCGWJIWHB-VMPITWQZSA-N
Compound name
[(E)-3-phenylprop-2-enyl] N-(4-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.12592 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13320 162.8
[M+Na]+ 290.11514 168.6
[M-H]- 266.11864 169.1
[M+NH4]+ 285.15974 178.7
[M+K]+ 306.08908 164.4
[M+H-H2O]+ 250.12318 154.7
[M+HCOO]- 312.12412 187.1
[M+CH3COO]- 326.13977 198.3
[M+Na-2H]- 288.10059 167.7
[M]+ 267.12537 163.2
[M]- 267.12647 163.2
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.