CID 15591132

3-pyridinecarboxylic acid, 1,4-dihydro-1-(4-fluorophenyl)-6-(4-((2-hydroxyethyl)amino)phenyl)-4-oxo-

Structural Information

Molecular Formula
C20H17FN2O4
SMILES
C1=CC(=CC=C1C2=CC(=O)C(=CN2C3=CC=C(C=C3)F)C(=O)O)NCCO
InChI
InChI=1S/C20H17FN2O4/c21-14-3-7-16(8-4-14)23-12-17(20(26)27)19(25)11-18(23)13-1-5-15(6-2-13)22-9-10-24/h1-8,11-12,22,24H,9-10H2,(H,26,27)
InChIKey
QMAVKSXNTDLBPO-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-6-[4-(2-hydroxyethylamino)phenyl]-4-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

368.11725 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.12453 184.7
[M+Na]+ 391.10647 192.4
[M-H]- 367.10997 189.8
[M+NH4]+ 386.15107 193.5
[M+K]+ 407.08041 186.3
[M+H-H2O]+ 351.11451 173.7
[M+HCOO]- 413.11545 203.8
[M+CH3COO]- 427.13110 215.6
[M+Na-2H]- 389.09192 186.3
[M]+ 368.11670 183.8
[M]- 368.11780 183.8
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