CID 1523960

111399-97-4

Structural Information

Molecular Formula
C25H28N2O7
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC(C)C
InChI
InChI=1S/C25H28N2O7/c1-13(2)32-24(28)21-15(5)26-16(6)22(25(29)33-14(3)4)23(21)20-11-10-19(34-20)17-8-7-9-18(12-17)27(30)31/h7-14,23,26H,1-6H3
InChIKey
JFMAJLPKTWNAFC-UHFFFAOYSA-N
Compound name
dipropan-2-yl 2,6-dimethyl-4-[5-(3-nitrophenyl)furan-2-yl]-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.18964 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.19692 209.8
[M+Na]+ 491.17886 220.6
[M+NH4]+ 486.22346 212.8
[M+K]+ 507.15280 222.1
[M-H]- 467.18236 214.2
[M+Na-2H]- 489.16431 212.3
[M]+ 468.18909 212.1
[M]- 468.19019 212.1
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.