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 212.4
[M+Na]+ 491.17886 215.5
[M-H]- 467.18236 220.6
[M+NH4]+ 486.22346 217.6
[M+K]+ 507.15280 210.2
[M+H-H2O]+ 451.18690 207.9
[M+HCOO]- 513.18784 228.0
[M+CH3COO]- 527.20349 230.6
[M+Na-2H]- 489.16431 208.3
[M]+ 468.18909 215.1
[M]- 468.19019 215.1
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.