CID 1523982

401636-24-6

Structural Information

Molecular Formula
C21H27NO4
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)C(C)(C)C)C(=O)OC
InChI
InChI=1S/C21H27NO4/c1-12-16(19(23)25-6)18(17(13(2)22-12)20(24)26-7)14-8-10-15(11-9-14)21(3,4)5/h8-11,18,22H,1-7H3
InChIKey
RPAKOPLFCWVSOQ-UHFFFAOYSA-N
Compound name
dimethyl 4-(4-tert-butylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.194 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.20128 185.7
[M+Na]+ 380.18322 192.6
[M-H]- 356.18672 190.1
[M+NH4]+ 375.22782 197.2
[M+K]+ 396.15716 189.6
[M+H-H2O]+ 340.19126 178.0
[M+HCOO]- 402.19220 201.1
[M+CH3COO]- 416.20785 216.4
[M+Na-2H]- 378.16867 184.1
[M]+ 357.19345 189.0
[M]- 357.19455 189.0
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

No patent data available for this compound.