CID 129011849

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

Structural Information

Molecular Formula
C24H32N4O5
SMILES
CC1=NC(=C(C(C1C/C=N/OCCN2CCCCC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC)C
InChI
InChI=1S/C24H32N4O5/c1-17-21(10-11-25-33-15-14-27-12-5-4-6-13-27)23(22(18(2)26-17)24(29)32-3)19-8-7-9-20(16-19)28(30)31/h7-9,11,16,21,23H,4-6,10,12-15H2,1-3H3/b25-11+
InChIKey
VRDHGFYBPGFRDS-OPEKNORGSA-N
Compound name
methyl 2,6-dimethyl-4-(3-nitrophenyl)-3-[(2E)-2-(2-piperidin-1-ylethoxyimino)ethyl]-3,4-dihydropyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.23727 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.24455 212.7
[M+Na]+ 479.22649 213.7
[M-H]- 455.22999 219.3
[M+NH4]+ 474.27109 217.2
[M+K]+ 495.20043 206.0
[M+H-H2O]+ 439.23453 204.5
[M+HCOO]- 501.23547 229.6
[M+CH3COO]- 515.25112 233.3
[M+Na-2H]- 477.21194 212.7
[M]+ 456.23672 211.2
[M]- 456.23782 211.2
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.