CID 6436048

Pranidipine

Structural Information

Molecular Formula
C25H24N2O6
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC/C=C/C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C25H24N2O6/c1-16-21(24(28)32-3)23(19-12-7-13-20(15-19)27(30)31)22(17(2)26-16)25(29)33-14-8-11-18-9-5-4-6-10-18/h4-13,15,23,26H,14H2,1-3H3/b11-8+
InChIKey
XTFPDGZNWTZCMF-DHZHZOJOSA-N
Compound name
3-O-methyl 5-O-[(E)-3-phenylprop-2-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

36
References

3394
Patents

448.16342 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.17070 208.5
[M+Na]+ 471.15264 211.9
[M-H]- 447.15614 215.1
[M+NH4]+ 466.19724 213.7
[M+K]+ 487.12658 203.0
[M+H-H2O]+ 431.16068 201.9
[M+HCOO]- 493.16162 226.1
[M+CH3COO]- 507.17727 224.0
[M+Na-2H]- 469.13809 208.1
[M]+ 448.16287 208.2
[M]- 448.16397 208.2
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.