CID 133047

Proxodolol

Structural Information

Molecular Formula
C17H25N3O5
SMILES
CC(C)(C)NCC(COC1=CC=CC=C1OCC2=NC(=NO2)OC)O
InChI
InChI=1S/C17H25N3O5/c1-17(2,3)18-9-12(21)10-23-13-7-5-6-8-14(13)24-11-15-19-16(22-4)20-25-15/h5-8,12,18,21H,9-11H2,1-4H3
InChIKey
NXTODQHJOKDVFU-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-[2-[(3-methoxy-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

0
Patents

351.1794 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.18668 183.1
[M+Na]+ 374.16862 188.2
[M-H]- 350.17212 186.5
[M+NH4]+ 369.21322 192.8
[M+K]+ 390.14256 187.7
[M+H-H2O]+ 334.17666 174.1
[M+HCOO]- 396.17760 201.6
[M+CH3COO]- 410.19325 212.1
[M+Na-2H]- 372.15407 186.6
[M]+ 351.17885 189.6
[M]- 351.17995 189.6
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.