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]+ 324.19582 175.9
[M+Na]+ 346.17776 179.2
[M-H]- 322.18126 182.8
[M+NH4]+ 341.22236 187.9
[M+K]+ 362.15170 178.7
[M+H-H2O]+ 306.18580 167.6
[M+HCOO]- 368.18674 189.5
[M+CH3COO]- 382.20239 184.6
[M+Na-2H]- 344.16321 180.8
[M]+ 323.18799 170.6
[M]- 323.18909 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.