CID 3069676

85018-60-6

Structural Information

Molecular Formula
C26H36N2O4
SMILES
CC(C)(CCCCCCC(C)(C)COC(=O)C1=CN=CC=C1)COC(=O)C2=CN=CC=C2
InChI
InChI=1S/C26H36N2O4/c1-25(2,19-31-23(29)21-11-9-15-27-17-21)13-7-5-6-8-14-26(3,4)20-32-24(30)22-12-10-16-28-18-22/h9-12,15-18H,5-8,13-14,19-20H2,1-4H3
InChIKey
CIWMBCXHWDDCJB-UHFFFAOYSA-N
Compound name
[2,2,9,9-tetramethyl-10-(pyridine-3-carbonyloxy)decyl] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

440.26752 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.274796 213.0
[M+Na]+ 463.256738 214.6
[M-H]- 439.260244 215.0
[M+NH4]+ 458.301343 218.7
[M+K]+ 479.230678 211.0
[M+H-H2O]+ 423.264780 202.2
[M+HCOO]- 485.265721 226.5
[M+CH3COO]- 499.281371 230.3
[M+Na-2H]- 461.242186 214.7
[M]+ 440.26697142 218.9
[M]- 440.26806858 218.9
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