CID 704203

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

Structural Information

Molecular Formula
C17H19NO5
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)O)C(=O)OC
InChI
InChI=1S/C17H19NO5/c1-9-13(16(20)22-3)15(11-5-7-12(19)8-6-11)14(10(2)18-9)17(21)23-4/h5-8,15,18-19H,1-4H3
InChIKey
OVYYMMBJVCGONG-UHFFFAOYSA-N
Compound name
dimethyl 4-(4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

317.1263 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.13358 172.1
[M+Na]+ 340.11552 179.7
[M-H]- 316.11902 175.5
[M+NH4]+ 335.16012 184.2
[M+K]+ 356.08946 176.7
[M+H-H2O]+ 300.12356 164.4
[M+HCOO]- 362.12450 189.1
[M+CH3COO]- 376.14015 204.6
[M+Na-2H]- 338.10097 171.1
[M]+ 317.12575 174.1
[M]- 317.12685 174.1
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