CID 13071629

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

Structural Information

Molecular Formula
C17H23BrN2O4
SMILES
CC1=C(C(=NO1)COC2=CC=CC=C2OCC(CNC(C)C)O)Br
InChI
InChI=1S/C17H23BrN2O4/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
OMCDYMCXOBMQPV-UHFFFAOYSA-N
Compound name
1-[2-[(4-bromo-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

398.0841 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.09138 188.3
[M+Na]+ 421.07332 196.4
[M-H]- 397.07682 195.3
[M+NH4]+ 416.11792 201.5
[M+K]+ 437.04726 186.6
[M+H-H2O]+ 381.08136 185.4
[M+HCOO]- 443.08230 205.9
[M+CH3COO]- 457.09795 217.5
[M+Na-2H]- 419.05877 189.4
[M]+ 398.08355 211.4
[M]- 398.08465 211.4
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.