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 173.3
[M+Na]+ 333.12096 176.6
[M-H]- 309.12446 178.9
[M+NH4]+ 328.16556 186.4
[M+K]+ 349.09490 172.7
[M+H-H2O]+ 293.12900 164.1
[M+HCOO]- 355.12994 197.6
[M+CH3COO]- 369.14559 206.8
[M+Na-2H]- 331.10641 177.6
[M]+ 310.13119 172.8
[M]- 310.13229 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.