CID 5933012

2-(3,4-dimethoxystyryl)quinoline

Structural Information

Molecular Formula
C19H17NO2
SMILES
COC1=C(C=C(C=C1)/C=C/C2=NC3=CC=CC=C3C=C2)OC
InChI
InChI=1S/C19H17NO2/c1-21-18-12-8-14(13-19(18)22-2)7-10-16-11-9-15-5-3-4-6-17(15)20-16/h3-13H,1-2H3/b10-7+
InChIKey
XAEBIRLRAIYZMN-JXMROGBWSA-N
Compound name
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

291.12592 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.13320 168.7
[M+Na]+ 314.11514 177.5
[M-H]- 290.11864 175.0
[M+NH4]+ 309.15974 183.9
[M+K]+ 330.08908 172.0
[M+H-H2O]+ 274.12318 159.3
[M+HCOO]- 336.12412 190.3
[M+CH3COO]- 350.13977 180.4
[M+Na-2H]- 312.10059 174.9
[M]+ 291.12537 171.7
[M]- 291.12647 171.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe