CID 134886

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

Structural Information

Molecular Formula
C17H23ClN2O4
SMILES
CC1=NOC(=C1Cl)COC2=CC=CC=C2OCC(CNC(C)C)O
InChI
InChI=1S/C17H23ClN2O4/c1-11(2)19-8-13(21)9-22-14-6-4-5-7-15(14)23-10-16-17(18)12(3)20-24-16/h4-7,11,13,19,21H,8-10H2,1-3H3
InChIKey
QCEBWPRHMHIHTA-UHFFFAOYSA-N
Compound name
1-[2-[(4-chloro-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

1
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

literature stripe

Patent stripe

patents stripe