CID 31473

Amoproxan

Structural Information

Molecular Formula
C22H35NO7
SMILES
CC(C)CCOCC(CN1CCOCC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C22H35NO7/c1-16(2)6-9-29-15-18(14-23-7-10-28-11-8-23)30-22(24)17-12-19(25-3)21(27-5)20(13-17)26-4/h12-13,16,18H,6-11,14-15H2,1-5H3
InChIKey
YOKPRDAUBGOISU-UHFFFAOYSA-N
Compound name
[1-(3-methylbutoxy)-3-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

654
Patents

425.24136 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.24864 203.6
[M+Na]+ 448.23058 205.1
[M-H]- 424.23408 207.7
[M+NH4]+ 443.27518 210.3
[M+K]+ 464.20452 206.3
[M+H-H2O]+ 408.23862 193.5
[M+HCOO]- 470.23956 217.2
[M+CH3COO]- 484.25521 228.8
[M+Na-2H]- 446.21603 200.3
[M]+ 425.24081 211.0
[M]- 425.24191 211.0
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.