CID 207508

30131-50-1

Structural Information

Molecular Formula
C20H24N2O6
SMILES
CCOC(=O)C1=C(N(C(=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC)C)C)C
InChI
InChI=1S/C20H24N2O6/c1-6-27-19(23)16-12(3)21(5)13(4)17(20(24)28-7-2)18(16)14-10-8-9-11-15(14)22(25)26/h8-11,18H,6-7H2,1-5H3
InChIKey
MICMKHYRWUPXSR-UHFFFAOYSA-N
Compound name
diethyl 1,2,6-trimethyl-4-(2-nitrophenyl)-4H-pyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

388.16342 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17070 190.8
[M+Na]+ 411.15264 197.0
[M-H]- 387.15614 196.6
[M+NH4]+ 406.19724 200.5
[M+K]+ 427.12658 190.8
[M+H-H2O]+ 371.16068 186.4
[M+HCOO]- 433.16162 210.5
[M+CH3COO]- 447.17727 218.3
[M+Na-2H]- 409.13809 190.5
[M]+ 388.16287 194.9
[M]- 388.16397 194.9
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