CID 118933

Didodecyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate

Structural Information

Molecular Formula
C33H59NO4
SMILES
CCCCCCCCCCCCOC(=O)C1=C(NC(=C(C1)C(=O)OCCCCCCCCCCCC)C)C
InChI
InChI=1S/C33H59NO4/c1-5-7-9-11-13-15-17-19-21-23-25-37-32(35)30-27-31(29(4)34-28(30)3)33(36)38-26-24-22-20-18-16-14-12-10-8-6-2/h34H,5-27H2,1-4H3
InChIKey
VEUDMQNHACTHAL-UHFFFAOYSA-N
Compound name
didodecyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

64
Patents

533.4444 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.45168 245.9
[M+Na]+ 556.43362 244.0
[M-H]- 532.43712 242.7
[M+NH4]+ 551.47822 236.5
[M+K]+ 572.40756 237.8
[M+H-H2O]+ 516.44166 235.4
[M+HCOO]- 578.44260 247.2
[M+CH3COO]- 592.45825 252.7
[M+Na-2H]- 554.41907 235.8
[M]+ 533.44385 255.7
[M]- 533.44495 255.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe