CID 5906860

Ethyl 4-(2-(4-quinolinyl)vinyl)phenylcarbamate

Structural Information

Molecular Formula
C20H18N2O2
SMILES
CCOC(=O)NC1=CC=C(C=C1)/C=C/C2=CC=NC3=CC=CC=C23
InChI
InChI=1S/C20H18N2O2/c1-2-24-20(23)22-17-11-8-15(9-12-17)7-10-16-13-14-21-19-6-4-3-5-18(16)19/h3-14H,2H2,1H3,(H,22,23)/b10-7+
InChIKey
NRWCTHPLBDZPCS-JXMROGBWSA-N
Compound name
ethyl N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.13684 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14412 175.9
[M+Na]+ 341.12606 182.5
[M-H]- 317.12956 181.7
[M+NH4]+ 336.17066 189.3
[M+K]+ 357.10000 176.8
[M+H-H2O]+ 301.13410 166.1
[M+HCOO]- 363.13504 197.4
[M+CH3COO]- 377.15069 208.9
[M+Na-2H]- 339.11151 181.8
[M]+ 318.13629 176.8
[M]- 318.13739 176.8
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.