CID 529924

76258-20-3

Structural Information

Molecular Formula
C17H16N2O6
SMILES
CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C17H16N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-6-5-7-12(8-11)19(22)23/h5-8H,1-4H3
InChIKey
WLSSRGYMMSQMGL-UHFFFAOYSA-N
Compound name
dimethyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

344.10083 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10811 176.1
[M+Na]+ 367.09005 189.9
[M+NH4]+ 362.13465 181.0
[M+K]+ 383.06399 188.0
[M-H]- 343.09355 179.1
[M+Na-2H]- 365.07550 181.6
[M]+ 344.10028 178.7
[M]- 344.10138 178.7
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