CID 169501779

Lercanidipine metabolite pa3

Structural Information

Molecular Formula
C20H24N2O5
SMILES
CC1=C(C(=C(C(=N1)C)C(=O)OC(C)(C)CO)C2=CC(=CC=C2)N)C(=O)OC
InChI
InChI=1S/C20H24N2O5/c1-11-15(18(24)26-5)17(13-7-6-8-14(21)9-13)16(12(2)22-11)19(25)27-20(3,4)10-23/h6-9,23H,10,21H2,1-5H3
InChIKey
ACRYXZWXQNFQDQ-UHFFFAOYSA-N
Compound name
3-O-(1-hydroxy-2-methylpropan-2-yl) 5-O-methyl 4-(3-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.16852 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.17580 189.1
[M+Na]+ 395.15774 199.9
[M+NH4]+ 390.20234 192.9
[M+K]+ 411.13168 196.5
[M-H]- 371.16124 190.0
[M+Na-2H]- 393.14319 193.1
[M]+ 372.16797 190.7
[M]- 372.16907 190.7
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.