CID 129839

70677-78-0

Structural Information

Molecular Formula
C17H19NO4
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2)C(=O)OC
InChI
InChI=1S/C17H19NO4/c1-10-13(16(19)21-3)15(12-8-6-5-7-9-12)14(11(2)18-10)17(20)22-4/h5-9,15,18H,1-4H3
InChIKey
QDHIAGVDKRWZNF-UHFFFAOYSA-N
Compound name
dimethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

61
Patents

301.1314 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13868 169.1
[M+Na]+ 324.12062 176.5
[M-H]- 300.12412 173.5
[M+NH4]+ 319.16522 182.5
[M+K]+ 340.09456 173.5
[M+H-H2O]+ 284.12866 161.1
[M+HCOO]- 346.12960 187.5
[M+CH3COO]- 360.14525 203.4
[M+Na-2H]- 322.10607 169.2
[M]+ 301.13085 171.1
[M]- 301.13195 171.1
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