CID 203899

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

Structural Information

Molecular Formula
C21H25NO
SMILES
C1CCN(C1)CCOC2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C21H25NO/c1-3-9-19-17(7-1)11-12-18-8-2-4-10-20(18)21(19)23-16-15-22-13-5-6-14-22/h1-4,7-10,21H,5-6,11-16H2
InChIKey
STUCBJWKHJKFTR-UHFFFAOYSA-N
Compound name
1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

307.1936 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.200876 175.0
[M+Na]+ 330.182818 179.2
[M-H]- 306.186324 182.0
[M+NH4]+ 325.227423 190.9
[M+K]+ 346.156758 176.4
[M+H-H2O]+ 290.190860 167.6
[M+HCOO]- 352.191801 191.5
[M+CH3COO]- 366.207451 184.5
[M+Na-2H]- 328.168266 177.3
[M]+ 307.19305142 170.1
[M]- 307.19414858 170.1
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