CID 5377590

4-[(e)-2-(4-methoxyphenyl)ethenyl]quinoline

Structural Information

Molecular Formula
C18H15NO
SMILES
COC1=CC=C(C=C1)/C=C/C2=CC=NC3=CC=CC=C23
InChI
InChI=1S/C18H15NO/c1-20-16-10-7-14(8-11-16)6-9-15-12-13-19-18-5-3-2-4-17(15)18/h2-13H,1H3/b9-6+
InChIKey
WWQSNGMSYOYSOC-RMKNXTFCSA-N
Compound name
4-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.11536 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.122636 160.5
[M+Na]+ 284.104578 169.0
[M-H]- 260.108084 166.5
[M+NH4]+ 279.149183 176.7
[M+K]+ 300.078518 163.1
[M+H-H2O]+ 244.112620 151.4
[M+HCOO]- 306.113561 182.3
[M+CH3COO]- 320.129211 172.5
[M+Na-2H]- 282.090026 168.0
[M]+ 261.11481142 161.4
[M]- 261.11590858 161.4
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.