CID 2864430

2-[2-(2-quinolinyl)ethenyl]phenol

Structural Information

Molecular Formula
C17H13NO
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C=CC3=CC=CC=C3O
InChI
InChI=1S/C17H13NO/c19-17-8-4-2-6-14(17)10-12-15-11-9-13-5-1-3-7-16(13)18-15/h1-12,19H
InChIKey
NXNDEWNGCMCWMA-UHFFFAOYSA-N
Compound name
2-(2-quinolin-2-ylethenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

31
Patents

247.09972 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10700 155.9
[M+Na]+ 270.08894 164.5
[M-H]- 246.09244 160.9
[M+NH4]+ 265.13354 172.1
[M+K]+ 286.06288 157.9
[M+H-H2O]+ 230.09698 147.5
[M+HCOO]- 292.09792 176.6
[M+CH3COO]- 306.11357 167.8
[M+Na-2H]- 268.07439 163.7
[M]+ 247.09917 154.7
[M]- 247.10027 154.7
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