CID 3045023

Morpholine, 2-(2-(2-phenoxyphenyl)ethyl)-, (z)-2-butenedioate (2:1)

Structural Information

Molecular Formula
C18H21NO2
SMILES
C1COC(CN1)CCC2=CC=CC=C2OC3=CC=CC=C3
InChI
InChI=1S/C18H21NO2/c1-2-7-16(8-3-1)21-18-9-5-4-6-15(18)10-11-17-14-19-12-13-20-17/h1-9,17,19H,10-14H2
InChIKey
XKRJDJNGNLAZBF-UHFFFAOYSA-N
Compound name
2-[2-(2-phenoxyphenyl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.164506 167.1
[M+Na]+ 306.146448 170.6
[M-H]- 282.149954 173.2
[M+NH4]+ 301.191053 178.4
[M+K]+ 322.120388 166.7
[M+H-H2O]+ 266.154490 157.2
[M+HCOO]- 328.155431 183.7
[M+CH3COO]- 342.171081 176.6
[M+Na-2H]- 304.131896 171.9
[M]+ 283.15668142 162.9
[M]- 283.15777858 162.9
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

patents stripe