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

5
Patents

320.1736 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.180876 177.1
[M+Na]+ 343.162818 181.8
[M-H]- 319.166324 181.6
[M+NH4]+ 338.207423 189.3
[M+K]+ 359.136758 180.7
[M+H-H2O]+ 303.170860 168.5
[M+HCOO]- 365.171801 197.4
[M+CH3COO]- 379.187451 208.3
[M+Na-2H]- 341.148266 178.1
[M]+ 320.17305142 181.8
[M]- 320.17414858 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