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]+ 338.211476 171.1
[M+Na]+ 360.193418 174.1
[M-H]- 336.196924 173.6
[M+NH4]+ 355.238023 176.5
[M+K]+ 376.167358 173.1
[M+H-H2O]+ 320.201460 165.3
[M+HCOO]- 382.202401 176.7
[M+CH3COO]- 396.218051 174.0
[M+Na-2H]- 358.178866 170.6
[M]+ 337.20365142 169.2
[M]- 337.20474858 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.