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]+ 311.13902 175.0
[M+Na]+ 333.12096 185.6
[M+NH4]+ 328.16556 181.1
[M+K]+ 349.09490 178.5
[M-H]- 309.12446 178.7
[M+Na-2H]- 331.10641 182.5
[M]+ 310.13119 177.2
[M]- 310.13229 177.2
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.