CID 146290

91040-25-4

Structural Information

Molecular Formula
C28H30Cl2N4O6
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C28H30Cl2N4O6/c1-17-24(27(35)39-3)26(19-5-4-6-21(15-19)34(37)38)25(18(2)31-17)28(36)40-14-13-32-9-11-33(12-10-32)20-7-8-22(29)23(30)16-20/h4-8,15-16,26,31H,9-14H2,1-3H3
InChIKey
IGOSKUGZRLFXGI-UHFFFAOYSA-N
Compound name
5-O-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

588.15424 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.16152 234.2
[M+Na]+ 611.14346 248.8
[M+NH4]+ 606.18806 237.7
[M+K]+ 627.11740 244.1
[M-H]- 587.14696 239.7
[M+Na-2H]- 609.12891 239.4
[M]+ 588.15369 238.1
[M]- 588.15479 238.1
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

No patent data available for this compound.