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
2
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 189.0
[M+Na]+ 395.15774 196.0
[M-H]- 371.16124 193.4
[M+NH4]+ 390.20234 199.1
[M+K]+ 411.13168 193.5
[M+H-H2O]+ 355.16578 180.7
[M+HCOO]- 417.16672 206.6
[M+CH3COO]- 431.18237 220.7
[M+Na-2H]- 393.14319 188.3
[M]+ 372.16797 193.0
[M]- 372.16907 193.0
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.