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 171.5
[M+Na]+ 316.16720 183.4
[M+NH4]+ 311.21180 180.8
[M+K]+ 332.14114 177.4
[M-H]- 292.17070 176.4
[M+Na-2H]- 314.15265 177.6
[M]+ 293.17743 174.7
[M]- 293.17853 174.7
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.

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No patent data available for this compound.