CID 54688359

3-(1lambda(5)-pyridin-1-yl)-2,4-quinolinediol

Structural Information

Molecular Formula
C14H11N2O2
SMILES
C1=CC=[N+](C=C1)C2=C(C3=CC=CC=C3NC2=O)O
InChI
InChI=1S/C14H10N2O2/c17-13-10-6-2-3-7-11(10)15-14(18)12(13)16-8-4-1-5-9-16/h1-9H,(H-,15,17,18)/p+1
InChIKey
LSTBESQBKXXJNB-UHFFFAOYSA-O
Compound name
4-hydroxy-3-pyridin-1-ium-1-yl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.08205 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08933 153.8
[M+Na]+ 262.07127 163.6
[M-H]- 238.07477 157.1
[M+NH4]+ 257.11587 168.0
[M+K]+ 278.04521 151.8
[M+H-H2O]+ 222.07931 148.0
[M+HCOO]- 284.08025 172.4
[M+CH3COO]- 298.09590 180.2
[M+Na-2H]- 260.05672 164.2
[M]+ 239.08150 151.0
[M]- 239.08260 151.0
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.