CID 1523981

50672-60-1

Structural Information

Molecular Formula
C21H21NO4
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC3=CC=CC=C32)C(=O)OC
InChI
InChI=1S/C21H21NO4/c1-12-17(20(23)25-3)19(18(13(2)22-12)21(24)26-4)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,19,22H,1-4H3
InChIKey
JJRQTRMWIZKCMA-UHFFFAOYSA-N
Compound name
dimethyl 2,6-dimethyl-4-naphthalen-1-yl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

351.14706 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 183.6
[M+Na]+ 374.13628 197.7
[M+NH4]+ 369.18088 190.1
[M+K]+ 390.11022 191.1
[M-H]- 350.13978 186.6
[M+Na-2H]- 372.12173 189.2
[M]+ 351.14651 186.4
[M]- 351.14761 186.4
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