CID 13599652

Hydroxy dehydro nifedipine lactone

Structural Information

Molecular Formula
C16H12N2O6
SMILES
CC1=C(C(=C2C(=N1)COC2=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C16H12N2O6/c1-8-12(15(19)23-2)13(14-10(17-8)7-24-16(14)20)9-5-3-4-6-11(9)18(21)22/h3-6H,7H2,1-2H3
InChIKey
NZHFIISQXLFKEF-UHFFFAOYSA-N
Compound name
methyl 2-methyl-4-(2-nitrophenyl)-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

328.06955 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.07683 170.4
[M+Na]+ 351.05877 184.0
[M+NH4]+ 346.10337 176.4
[M+K]+ 367.03271 183.9
[M-H]- 327.06227 175.0
[M+Na-2H]- 349.04422 174.6
[M]+ 328.06900 173.4
[M]- 328.07010 173.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe