CID 121321

3-((10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)oxy)-1-methylpyrrolidine maleate

Structural Information

Molecular Formula
C20H23NO
SMILES
CN1CCC(C1)OC2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C20H23NO/c1-21-13-12-17(14-21)22-20-18-8-4-2-6-15(18)10-11-16-7-3-5-9-19(16)20/h2-9,17,20H,10-14H2,1H3
InChIKey
SAZKSCSVTOSLOP-UHFFFAOYSA-N
Compound name
1-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.17798 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 170.8
[M+Na]+ 316.16720 176.3
[M-H]- 292.17070 178.4
[M+NH4]+ 311.21180 187.6
[M+K]+ 332.14114 173.9
[M+H-H2O]+ 276.17524 163.9
[M+HCOO]- 338.17618 187.7
[M+CH3COO]- 352.19183 181.1
[M+Na-2H]- 314.15265 173.0
[M]+ 293.17743 166.0
[M]- 293.17853 166.0
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.