CID 6478451

2-quinolineacrylic acid, alpha-2-quinolylmethyl-

Structural Information

Molecular Formula
C22H16N2O2
SMILES
C1=CC=C2C(=C1)C=CC(=N2)CC3=CC4=CC=CC=C4N=C3/C=C/C(=O)O
InChI
InChI=1S/C22H16N2O2/c25-22(26)12-11-21-17(13-16-6-2-4-8-20(16)24-21)14-18-10-9-15-5-1-3-7-19(15)23-18/h1-13H,14H2,(H,25,26)/b12-11+
InChIKey
CGECUEDTLZXUDQ-VAWYXSNFSA-N
Compound name
(E)-3-[3-(quinolin-2-ylmethyl)quinolin-2-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1212 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12848 181.7
[M+Na]+ 363.11042 190.7
[M-H]- 339.11392 186.1
[M+NH4]+ 358.15502 193.2
[M+K]+ 379.08436 182.6
[M+H-H2O]+ 323.11846 171.0
[M+HCOO]- 385.11940 199.4
[M+CH3COO]- 399.13505 191.4
[M+Na-2H]- 361.09587 188.8
[M]+ 340.12065 183.0
[M]- 340.12175 183.0
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.