CID 129011851

3-pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-5-(1-((phenylmethoxy)imino)ethyl)-, methyl ester

Structural Information

Molecular Formula
C24H25N3O5
SMILES
CC1=NC(=C(C(C1C/C=N/OCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC)C
InChI
InChI=1S/C24H25N3O5/c1-16-21(12-13-25-32-15-18-8-5-4-6-9-18)23(22(17(2)26-16)24(28)31-3)19-10-7-11-20(14-19)27(29)30/h4-11,13-14,21,23H,12,15H2,1-3H3/b25-13+
InChIKey
BGJMAYVEHJAKHM-DHRITJCHSA-N
Compound name
methyl 2,6-dimethyl-4-(3-nitrophenyl)-3-[(2E)-2-phenylmethoxyiminoethyl]-3,4-dihydropyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.1794 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.18668 206.9
[M+Na]+ 458.16862 210.9
[M-H]- 434.17212 216.1
[M+NH4]+ 453.21322 213.9
[M+K]+ 474.14256 203.0
[M+H-H2O]+ 418.17666 199.3
[M+HCOO]- 480.17760 229.3
[M+CH3COO]- 494.19325 229.5
[M+Na-2H]- 456.15407 209.1
[M]+ 435.17885 209.1
[M]- 435.17995 209.1
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.