CID 3021984

1,4-dihydro-6-cyclohexyl-1-(4-hydroxy-2-methylphenyl)-4-oxo-3-pyridinecarboxylic acid

Structural Information

Molecular Formula
C19H21NO4
SMILES
CC1=C(C=CC(=C1)O)N2C=C(C(=O)C=C2C3CCCCC3)C(=O)O
InChI
InChI=1S/C19H21NO4/c1-12-9-14(21)7-8-16(12)20-11-15(19(23)24)18(22)10-17(20)13-5-3-2-4-6-13/h7-11,13,21H,2-6H2,1H3,(H,23,24)
InChIKey
MKQLPYSJBHETNW-UHFFFAOYSA-N
Compound name
6-cyclohexyl-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

327.14706 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15434 176.1
[M+Na]+ 350.13628 182.3
[M-H]- 326.13978 181.9
[M+NH4]+ 345.18088 187.1
[M+K]+ 366.11022 177.4
[M+H-H2O]+ 310.14432 167.1
[M+HCOO]- 372.14526 191.5
[M+CH3COO]- 386.16091 205.8
[M+Na-2H]- 348.12173 175.5
[M]+ 327.14651 172.5
[M]- 327.14761 172.5
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