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]+ 268.133196 162.8
[M+Na]+ 290.115138 168.6
[M-H]- 266.118644 169.1
[M+NH4]+ 285.159743 178.7
[M+K]+ 306.089078 164.4
[M+H-H2O]+ 250.123180 154.7
[M+HCOO]- 312.124121 187.1
[M+CH3COO]- 326.139771 198.3
[M+Na-2H]- 288.100586 167.7
[M]+ 267.12537142 163.2
[M]- 267.12646858 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.