CID 4148937

421580-78-1

Structural Information

Molecular Formula
C25H28N2O9
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCCOC)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OCCOC
InChI
InChI=1S/C25H28N2O9/c1-15-21(24(28)34-13-11-32-3)23(22(16(2)26-15)25(29)35-14-12-33-4)20-10-9-19(36-20)17-7-5-6-8-18(17)27(30)31/h5-10,23,26H,11-14H2,1-4H3
InChIKey
WRXSPTNDHOUBHC-UHFFFAOYSA-N
Compound name
bis(2-methoxyethyl) 2,6-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.17947 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.18675 217.2
[M+Na]+ 523.16869 227.7
[M+NH4]+ 518.21329 219.2
[M+K]+ 539.14263 228.6
[M-H]- 499.17219 221.0
[M+Na-2H]- 521.15414 219.3
[M]+ 500.17892 219.2
[M]- 500.18002 219.2
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.