CID 3021681

2-propanol, 3-(isopropylamino)-1-(o-((3-methyl-5-isoxazolyl)methoxy)phenoxy)-, hydrochloride

Structural Information

Molecular Formula
C17H24N2O4
SMILES
CC1=NOC(=C1)COC2=CC=CC=C2OCC(CNC(C)C)O
InChI
InChI=1S/C17H24N2O4/c1-12(2)18-9-14(20)10-21-16-6-4-5-7-17(16)22-11-15-8-13(3)19-23-15/h4-8,12,14,18,20H,9-11H2,1-3H3
InChIKey
FSTPTMKBYPEVMF-UHFFFAOYSA-N
Compound name
1-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

320.1736 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18088 177.1
[M+Na]+ 343.16282 181.8
[M-H]- 319.16632 181.6
[M+NH4]+ 338.20742 189.3
[M+K]+ 359.13676 180.7
[M+H-H2O]+ 303.17086 168.5
[M+HCOO]- 365.17180 197.4
[M+CH3COO]- 379.18745 208.3
[M+Na-2H]- 341.14827 178.1
[M]+ 320.17305 181.8
[M]- 320.17415 181.8
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

patents stripe