CID 3705829

2-propanol, 1-(2-((4-chloro-3-methyl-5-isoxazolyl)methoxy)phenoxy)-3-((1-methylpropyl)amino)-, monohydrochloride

Structural Information

Molecular Formula
C18H25ClN2O4
SMILES
CCC(C)NCC(COC1=CC=CC=C1OCC2=C(C(=NO2)C)Cl)O
InChI
InChI=1S/C18H25ClN2O4/c1-4-12(2)20-9-14(22)10-23-15-7-5-6-8-16(15)24-11-17-18(19)13(3)21-25-17/h5-8,12,14,20,22H,4,9-11H2,1-3H3
InChIKey
PSOUNFRUNXHJKY-UHFFFAOYSA-N
Compound name
1-(butan-2-ylamino)-3-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1503 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15758 188.3
[M+Na]+ 391.13952 194.2
[M-H]- 367.14302 192.9
[M+NH4]+ 386.18412 199.7
[M+K]+ 407.11346 191.1
[M+H-H2O]+ 351.14756 180.4
[M+HCOO]- 413.14850 203.6
[M+CH3COO]- 427.16415 216.0
[M+Na-2H]- 389.12497 187.6
[M]+ 368.14975 195.9
[M]- 368.15085 195.9
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.