CID 3021984

92394-48-4

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

0
Patents

327.14706 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.154336 176.1
[M+Na]+ 350.136278 182.3
[M-H]- 326.139784 181.9
[M+NH4]+ 345.180883 187.1
[M+K]+ 366.110218 177.4
[M+H-H2O]+ 310.144320 167.1
[M+HCOO]- 372.145261 191.5
[M+CH3COO]- 386.160911 205.8
[M+Na-2H]- 348.121726 175.5
[M]+ 327.14651142 172.5
[M]- 327.14760858 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