CID 5376707

2-[(e)-2-pyridin-3-ylethenyl]quinoline

Structural Information

Molecular Formula
C16H12N2
SMILES
C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CN=CC=C3
InChI
InChI=1S/C16H12N2/c1-2-6-16-14(5-1)8-10-15(18-16)9-7-13-4-3-11-17-12-13/h1-12H/b9-7+
InChIKey
LUHTXESUYWNUHX-VQHVLOKHSA-N
Compound name
2-[(E)-2-pyridin-3-ylethenyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
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

literature stripe

Patent stripe

patents stripe