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]+ 308.20088 175.0
[M+Na]+ 330.18282 179.2
[M-H]- 306.18632 182.0
[M+NH4]+ 325.22742 190.9
[M+K]+ 346.15676 176.4
[M+H-H2O]+ 290.19086 167.6
[M+HCOO]- 352.19180 191.5
[M+CH3COO]- 366.20745 184.5
[M+Na-2H]- 328.16827 177.3
[M]+ 307.19305 170.1
[M]- 307.19415 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