CID 6448479

Morpholine, 4-(2-(2-(2-(3-methyl-5-isoxazolyl)ethenyl)phenoxy)ethyl)-, monohydrochloride, (e)-

Structural Information

Molecular Formula
C18H22N2O3
SMILES
CC1=NOC(=C1)/C=C/C2=CC=CC=C2OCCN3CCOCC3
InChI
InChI=1S/C18H22N2O3/c1-15-14-17(23-19-15)7-6-16-4-2-3-5-18(16)22-13-10-20-8-11-21-12-9-20/h2-7,14H,8-13H2,1H3/b7-6+
InChIKey
BYNDCGDCPHEGAE-VOTSOKGWSA-N
Compound name
4-[2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.16306 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17034 175.8
[M+Na]+ 337.15228 188.8
[M+NH4]+ 332.19688 182.6
[M+K]+ 353.12622 183.7
[M-H]- 313.15578 182.4
[M+Na-2H]- 335.13773 182.0
[M]+ 314.16251 179.5
[M]- 314.16361 179.5
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.