CID 3073497

Mp2589

Structural Information

Molecular Formula
C19H18N2O6
SMILES
CC1=C(C(=C(C(=N1)C)C(=O)OC(C)C(=O)C)C2=CC=CC=C2N=O)C(=O)O
InChI
InChI=1S/C19H18N2O6/c1-9-15(18(23)24)17(13-7-5-6-8-14(13)21-26)16(10(2)20-9)19(25)27-12(4)11(3)22/h5-8,12H,1-4H3,(H,23,24)
InChIKey
APIRVWKQVMPIQC-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-(2-nitrosophenyl)-5-(3-oxobutan-2-yloxycarbonyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1165 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.12378 183.4
[M+Na]+ 393.10572 194.4
[M+NH4]+ 388.15032 186.7
[M+K]+ 409.07966 191.6
[M-H]- 369.10922 184.2
[M+Na-2H]- 391.09117 187.6
[M]+ 370.11595 184.8
[M]- 370.11705 184.8
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

No patent data available for this compound.