CID 6481764

N,n-diethyl-5-(4-methoxy-2-prop-2-ynoxy-phenyl)isoxazol-3-amine

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CCN(CC)C1=NOC(=C1)C2=C(C=C(C=C2)OC)OCC#C
InChI
InChI=1S/C17H20N2O3/c1-5-10-21-15-11-13(20-4)8-9-14(15)16-12-17(18-22-16)19(6-2)7-3/h1,8-9,11-12H,6-7,10H2,2-4H3
InChIKey
KRTYGKKWSJOGIQ-UHFFFAOYSA-N
Compound name
N,N-diethyl-5-(4-methoxy-2-prop-2-ynoxyphenyl)-1,2-oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1474 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15468 167.8
[M+Na]+ 323.13662 177.4
[M-H]- 299.14012 172.3
[M+NH4]+ 318.18122 180.6
[M+K]+ 339.11056 174.3
[M+H-H2O]+ 283.14466 152.8
[M+HCOO]- 345.14560 185.7
[M+CH3COO]- 359.16125 214.8
[M+Na-2H]- 321.12207 169.2
[M]+ 300.14685 168.5
[M]- 300.14795 168.5
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.