CID 737072

Dimethyl 4-(3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Structural Information

Molecular Formula
C18H21NO5
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)OC)C(=O)OC
InChI
InChI=1S/C18H21NO5/c1-10-14(17(20)23-4)16(12-7-6-8-13(9-12)22-3)15(11(2)19-10)18(21)24-5/h6-9,16,19H,1-5H3
InChIKey
UVZJDLNWYRQSSL-UHFFFAOYSA-N
Compound name
dimethyl 4-(3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

331.14197 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.14925 175.9
[M+Na]+ 354.13119 183.5
[M-H]- 330.13469 180.5
[M+NH4]+ 349.17579 188.2
[M+K]+ 370.10513 181.1
[M+H-H2O]+ 314.13923 167.7
[M+HCOO]- 376.14017 194.1
[M+CH3COO]- 390.15582 209.9
[M+Na-2H]- 352.11664 174.9
[M]+ 331.14142 180.1
[M]- 331.14252 180.1
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

patents stripe