CID 14615

3-(diethylaminomethyl)-5-phenylisoxazole hydrochloride

Structural Information

Molecular Formula
C14H18N2O
SMILES
CCN(CC)CC1=NOC(=C1)C2=CC=CC=C2
InChI
InChI=1S/C14H18N2O/c1-3-16(4-2)11-13-10-14(17-15-13)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3
InChIKey
GWDGRXARTLNVDS-UHFFFAOYSA-N
Compound name
N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1419 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.149176 153.7
[M+Na]+ 253.131118 160.5
[M-H]- 229.134624 160.9
[M+NH4]+ 248.175723 171.1
[M+K]+ 269.105058 159.4
[M+H-H2O]+ 213.139160 145.4
[M+HCOO]- 275.140101 178.4
[M+CH3COO]- 289.155751 196.0
[M+Na-2H]- 251.116566 158.8
[M]+ 230.14135142 157.0
[M]- 230.14244858 157.0
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.