CID 1715058

30687-10-6

Structural Information

Molecular Formula
C18H18N2O3
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NCCOC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C18H18N2O3/c21-17(12-11-15-7-3-1-4-8-15)19-13-14-23-18(22)20-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,19,21)(H,20,22)/b12-11+
InChIKey
CACIUSTVXOLSQD-VAWYXSNFSA-N
Compound name
2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.13174 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.139016 173.3
[M+Na]+ 333.120958 176.6
[M-H]- 309.124464 178.9
[M+NH4]+ 328.165563 186.4
[M+K]+ 349.094898 172.7
[M+H-H2O]+ 293.129000 164.1
[M+HCOO]- 355.129941 197.6
[M+CH3COO]- 369.145591 206.8
[M+Na-2H]- 331.106406 177.6
[M]+ 310.13119142 172.8
[M]- 310.13228858 172.8
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.