CID 3070574

(+-)-1-(2-(6,11-dihydrodibenz(b,e)oxepin-6-yl)ethyl)pyrrolidine

Structural Information

Molecular Formula
C20H23NO
SMILES
C1CCN(C1)CCC2C3=CC=CC=C3CC4=CC=CC=C4O2
InChI
InChI=1S/C20H23NO/c1-3-9-18-16(7-1)15-17-8-2-4-10-19(17)22-20(18)11-14-21-12-5-6-13-21/h1-4,7-10,20H,5-6,11-15H2
InChIKey
IOCQHFABNXTETO-UHFFFAOYSA-N
Compound name
1-[2-(6,11-dihydrobenzo[c][1]benzoxepin-6-yl)ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.17798 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 173.6
[M+Na]+ 316.16720 185.5
[M+NH4]+ 311.21180 182.7
[M+K]+ 332.14114 179.5
[M-H]- 292.17070 179.5
[M+Na-2H]- 314.15265 179.2
[M]+ 293.17743 177.2
[M]- 293.17853 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.