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 175.4
[M+Na]+ 337.15228 180.7
[M-H]- 313.15578 182.7
[M+NH4]+ 332.19688 185.7
[M+K]+ 353.12622 178.6
[M+H-H2O]+ 297.16032 165.4
[M+HCOO]- 359.16126 192.5
[M+CH3COO]- 373.17691 185.4
[M+Na-2H]- 335.13773 177.5
[M]+ 314.16251 176.1
[M]- 314.16361 176.1
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.