CID 23456

3-phenyl-5-(1-hydroxy-3-dimethylaminopropyl)isoxazole hydrochloride

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CN(C)CCC(C1=CC(=NO1)C2=CC=CC=C2)O
InChI
InChI=1S/C14H18N2O2/c1-16(2)9-8-13(17)14-10-12(15-18-14)11-6-4-3-5-7-11/h3-7,10,13,17H,8-9H2,1-2H3
InChIKey
KWJLXLLJFQTXHJ-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 157.6
[M+Na]+ 269.12605 163.6
[M-H]- 245.12955 163.6
[M+NH4]+ 264.17065 173.5
[M+K]+ 285.09999 162.7
[M+H-H2O]+ 229.13409 149.5
[M+HCOO]- 291.13503 180.0
[M+CH3COO]- 305.15068 196.3
[M+Na-2H]- 267.11150 161.2
[M]+ 246.13628 159.9
[M]- 246.13738 159.9
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

patents stripe