CID 3069675

85018-59-3

Structural Information

Molecular Formula
C25H34N2O4
SMILES
CC(C)(CCCCCC(C)(C)COC(=O)C1=CN=CC=C1)COC(=O)C2=CN=CC=C2
InChI
InChI=1S/C25H34N2O4/c1-24(2,18-30-22(28)20-10-8-14-26-16-20)12-6-5-7-13-25(3,4)19-31-23(29)21-11-9-15-27-17-21/h8-11,14-17H,5-7,12-13,18-19H2,1-4H3
InChIKey
ZVMYFLWZFFFZEF-UHFFFAOYSA-N
Compound name
[2,2,8,8-tetramethyl-9-(pyridine-3-carbonyloxy)nonyl] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

426.25186 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.259136 208.5
[M+Na]+ 449.241078 210.7
[M-H]- 425.244584 210.8
[M+NH4]+ 444.285683 214.9
[M+K]+ 465.215018 207.2
[M+H-H2O]+ 409.249120 198.0
[M+HCOO]- 471.250061 222.4
[M+CH3COO]- 485.265711 227.4
[M+Na-2H]- 447.226526 210.8
[M]+ 426.25131142 214.2
[M]- 426.25240858 214.2
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