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

80
Patents

533.4444 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.451676 245.9
[M+Na]+ 556.433618 244.0
[M-H]- 532.437124 242.7
[M+NH4]+ 551.478223 236.5
[M+K]+ 572.407558 237.8
[M+H-H2O]+ 516.441660 235.4
[M+HCOO]- 578.442601 247.2
[M+CH3COO]- 592.458251 252.7
[M+Na-2H]- 554.419066 235.8
[M]+ 533.44385142 255.7
[M]- 533.44494858 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