CID 5276978

Schembl1045798

Structural Information

Molecular Formula
C23H19NO4
SMILES
C1=CC=C2C(=C1)C=CC=C2CC3=CC4=C(C=C3)N(C=C(C4=O)C(=O)O)CCO
InChI
InChI=1S/C23H19NO4/c25-11-10-24-14-20(23(27)28)22(26)19-13-15(8-9-21(19)24)12-17-6-3-5-16-4-1-2-7-18(16)17/h1-9,13-14,25H,10-12H2,(H,27,28)
InChIKey
VYUJPIITHOYCTR-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-6-(naphthalen-1-ylmethyl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

373.1314 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.13868 188.3
[M+Na]+ 396.12062 197.6
[M-H]- 372.12412 193.4
[M+NH4]+ 391.16522 199.5
[M+K]+ 412.09456 190.8
[M+H-H2O]+ 356.12866 178.5
[M+HCOO]- 418.12960 205.7
[M+CH3COO]- 432.14525 198.0
[M+Na-2H]- 394.10607 193.1
[M]+ 373.13085 191.4
[M]- 373.13195 191.4
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

patents stripe