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]+ 434.180956 199.9
[M+Na]+ 456.162898 205.1
[M-H]- 432.166404 205.0
[M+NH4]+ 451.207503 207.8
[M+K]+ 472.136838 205.3
[M+H-H2O]+ 416.170940 189.6
[M+HCOO]- 478.171881 219.0
[M+CH3COO]- 492.187531 229.5
[M+Na-2H]- 454.148346 198.2
[M]+ 433.17313142 211.8
[M]- 433.17422858 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.