CID 3045023

2-(2-(2-phenoxyphenyl)ethyl)morpholine (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

4
Patents

283.15723 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 167.1
[M+Na]+ 306.14645 170.6
[M-H]- 282.14995 173.2
[M+NH4]+ 301.19105 178.4
[M+K]+ 322.12039 166.7
[M+H-H2O]+ 266.15449 157.2
[M+HCOO]- 328.15543 183.7
[M+CH3COO]- 342.17108 176.6
[M+Na-2H]- 304.13190 171.9
[M]+ 283.15668 162.9
[M]- 283.15778 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