CID 129011846

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

Structural Information

Molecular Formula
C20H23N3O5
SMILES
CC1=NC(=C(C(C1C/C=N/OCC=C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C
InChI
InChI=1S/C20H23N3O5/c1-5-11-28-21-10-9-17-13(2)22-14(3)18(20(24)27-4)19(17)15-7-6-8-16(12-15)23(25)26/h5-8,10,12,17,19H,1,9,11H2,2-4H3/b21-10+
InChIKey
XQEPCCGFBGKBLS-UFFVCSGVSA-N
Compound name
methyl 2,6-dimethyl-4-(3-nitrophenyl)-3-[(2E)-2-prop-2-enoxyiminoethyl]-3,4-dihydropyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.16376 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.17104 190.9
[M+Na]+ 408.15298 203.2
[M+NH4]+ 403.19758 195.4
[M+K]+ 424.12692 199.4
[M-H]- 384.15648 194.6
[M+Na-2H]- 406.13843 195.5
[M]+ 385.16321 193.3
[M]- 385.16431 193.3
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.