CID 10389869

3-ethyl 5-methyl 2,6-bis((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate dihydrochloride

Structural Information

Molecular Formula
C22H30ClN3O6
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)COCCN)COCCN
InChI
InChI=1S/C22H30ClN3O6/c1-3-32-22(28)20-17(13-31-11-9-25)26-16(12-30-10-8-24)19(21(27)29-2)18(20)14-6-4-5-7-15(14)23/h4-7,18,26H,3,8-13,24-25H2,1-2H3
InChIKey
BHRYCUURXPBYOM-UHFFFAOYSA-N
Compound name
5-O-ethyl 3-O-methyl 2,6-bis(2-aminoethoxymethyl)-4-(2-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

467.1823 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.18958 210.3
[M+Na]+ 490.17152 214.5
[M-H]- 466.17502 212.8
[M+NH4]+ 485.21612 216.4
[M+K]+ 506.14546 210.3
[M+H-H2O]+ 450.17956 201.2
[M+HCOO]- 512.18050 223.6
[M+CH3COO]- 526.19615 237.2
[M+Na-2H]- 488.15697 206.1
[M]+ 467.18175 216.1
[M]- 467.18285 216.1
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

patents stripe