CID 3429951

75530-94-8

Structural Information

Molecular Formula
C21H26N2O8
SMILES
CC1=C(C(C(=C(N1)C(OC)OC)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C
InChI
InChI=1S/C21H26N2O8/c1-11(2)31-20(25)15-12(3)22-18(21(29-5)30-6)17(19(24)28-4)16(15)13-8-7-9-14(10-13)23(26)27/h7-11,16,21-22H,1-6H3
InChIKey
NUADIIYNSJFUSX-UHFFFAOYSA-N
Compound name
3-O-methyl 5-O-propan-2-yl 2-(dimethoxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.1689 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.17618 197.5
[M+Na]+ 457.15812 207.2
[M+NH4]+ 452.20272 199.8
[M+K]+ 473.13206 207.8
[M-H]- 433.16162 198.1
[M+Na-2H]- 455.14357 199.1
[M]+ 434.16835 198.4
[M]- 434.16945 198.4
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

No patent data available for this compound.