CID 203901

Morpholine, 4-(2-((10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)oxy)ethyl)-, oxalate (1:1)

Structural Information

Molecular Formula
C21H25NO2
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)OCCN4CCOCC4
InChI
InChI=1S/C21H25NO2/c1-3-7-19-17(5-1)9-10-18-6-2-4-8-20(18)21(19)24-16-13-22-11-14-23-15-12-22/h1-8,21H,9-16H2
InChIKey
LLXXHOPYERDPHM-UHFFFAOYSA-N
Compound name
4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.195816 175.9
[M+Na]+ 346.177758 179.2
[M-H]- 322.181264 182.8
[M+NH4]+ 341.222363 187.9
[M+K]+ 362.151698 178.7
[M+H-H2O]+ 306.185800 167.6
[M+HCOO]- 368.186741 189.5
[M+CH3COO]- 382.202391 184.6
[M+Na-2H]- 344.163206 180.8
[M]+ 323.18799142 170.6
[M]- 323.18908858 170.6
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.