CID 204035

Morpholine, 4-(2-((5,6,7,12-tetrahydrodibenzo(a,d)cycloocten-12-yl)oxy)ethyl)-, maleate (1:1)

Structural Information

Molecular Formula
C22H27NO2
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C3C1)OCCN4CCOCC4
InChI
InChI=1S/C22H27NO2/c1-3-10-20-18(6-1)8-5-9-19-7-2-4-11-21(19)22(20)25-17-14-23-12-15-24-16-13-23/h1-4,6-7,10-11,22H,5,8-9,12-17H2
InChIKey
HYELFSCMCLKEJZ-UHFFFAOYSA-N
Compound name
4-[2-(2-tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaenyloxy)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2042 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 171.1
[M+Na]+ 360.19342 174.1
[M-H]- 336.19692 173.6
[M+NH4]+ 355.23802 176.5
[M+K]+ 376.16736 173.1
[M+H-H2O]+ 320.20146 165.3
[M+HCOO]- 382.20240 176.7
[M+CH3COO]- 396.21805 174.0
[M+Na-2H]- 358.17887 170.6
[M]+ 337.20365 169.2
[M]- 337.20475 169.2
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.