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]+ 231.14918 153.7
[M+Na]+ 253.13112 160.5
[M-H]- 229.13462 160.9
[M+NH4]+ 248.17572 171.1
[M+K]+ 269.10506 159.4
[M+H-H2O]+ 213.13916 145.4
[M+HCOO]- 275.14010 178.4
[M+CH3COO]- 289.15575 196.0
[M+Na-2H]- 251.11657 158.8
[M]+ 230.14135 157.0
[M]- 230.14245 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.