CID 13071627

2-propanol, 1-(o-((4-chloro-5-methyl-3-isoxazolyl)methoxy)phenoxy)-3-(isopropylamino)-, hydrochloride

Structural Information

Molecular Formula
C17H23ClN2O4
SMILES
CC1=C(C(=NO1)COC2=CC=CC=C2OCC(CNC(C)C)O)Cl
InChI
InChI=1S/C17H23ClN2O4/c1-11(2)19-8-13(21)9-22-15-6-4-5-7-16(15)23-10-14-17(18)12(3)24-20-14/h4-7,11,13,19,21H,8-10H2,1-3H3
InChIKey
NFOZITKYTLEPTR-UHFFFAOYSA-N
Compound name
1-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.13464 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14192 183.7
[M+Na]+ 377.12386 190.0
[M-H]- 353.12736 188.4
[M+NH4]+ 372.16846 195.7
[M+K]+ 393.09780 187.1
[M+H-H2O]+ 337.13190 176.0
[M+HCOO]- 399.13284 199.3
[M+CH3COO]- 413.14849 213.1
[M+Na-2H]- 375.10931 183.5
[M]+ 354.13409 190.9
[M]- 354.13519 190.9
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.