CID 133047

158446-41-4

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

1
Patents

351.1794 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.186676 183.1
[M+Na]+ 374.168618 188.2
[M-H]- 350.172124 186.5
[M+NH4]+ 369.213223 192.8
[M+K]+ 390.142558 187.7
[M+H-H2O]+ 334.176660 174.1
[M+HCOO]- 396.177601 201.6
[M+CH3COO]- 410.193251 212.1
[M+Na-2H]- 372.154066 186.6
[M]+ 351.17885142 189.6
[M]- 351.17994858 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.