CID 5900251

4-(2-(3-pyridinyl)vinyl)quinoline

Structural Information

Molecular Formula
C16H12N2
SMILES
C1=CC=C2C(=C1)C(=CC=N2)/C=C/C3=CN=CC=C3
InChI
InChI=1S/C16H12N2/c1-2-6-16-15(5-1)14(9-11-18-16)8-7-13-4-3-10-17-12-13/h1-12H/b8-7+
InChIKey
YWFGPIWOFHMULO-BQYQJAHWSA-N
Compound name
4-[(E)-2-pyridin-3-ylethenyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.10005 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10733 152.5
[M+Na]+ 255.08927 161.0
[M-H]- 231.09277 157.0
[M+NH4]+ 250.13387 168.2
[M+K]+ 271.06321 154.6
[M+H-H2O]+ 215.09731 142.9
[M+HCOO]- 277.09825 173.4
[M+CH3COO]- 291.11390 164.4
[M+Na-2H]- 253.07472 162.0
[M]+ 232.09950 151.4
[M]- 232.10060 151.4
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.