CID 3050709

Brn 0503328

Structural Information

Molecular Formula
C22H27NO8
SMILES
CCCCOC1=CN=C(C=C1)C(=O)OC(C)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C22H27NO8/c1-6-7-10-29-16-8-9-17(23-13-16)22(25)31-14(2)30-21(24)15-11-18(26-3)20(28-5)19(12-15)27-4/h8-9,11-14H,6-7,10H2,1-5H3
InChIKey
QUZHZPGDYVOGGM-UHFFFAOYSA-N
Compound name
1-(3,4,5-trimethoxybenzoyl)oxyethyl 5-butoxypyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.17368 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.18096 199.9
[M+Na]+ 456.16290 205.1
[M-H]- 432.16640 205.0
[M+NH4]+ 451.20750 207.8
[M+K]+ 472.13684 205.3
[M+H-H2O]+ 416.17094 189.6
[M+HCOO]- 478.17188 219.0
[M+CH3COO]- 492.18753 229.5
[M+Na-2H]- 454.14835 198.2
[M]+ 433.17313 211.8
[M]- 433.17423 211.8
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

No patent data available for this compound.