CID 31473

Amoproxan hydrochloride

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
1
Annotation Hits

10
References

665
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

literature stripe

Patent stripe

patents stripe