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 181.7
[M+Na]+ 393.10572 189.0
[M-H]- 369.10922 188.0
[M+NH4]+ 388.15032 192.1
[M+K]+ 409.07966 187.9
[M+H-H2O]+ 353.11376 172.9
[M+HCOO]- 415.11470 202.0
[M+CH3COO]- 429.13035 223.4
[M+Na-2H]- 391.09117 180.1
[M]+ 370.11595 187.6
[M]- 370.11705 187.6
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.