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 169.5
[M+Na]+ 316.16720 174.3
[M-H]- 292.17070 177.2
[M+NH4]+ 311.21180 184.7
[M+K]+ 332.14114 172.6
[M+H-H2O]+ 276.17524 162.4
[M+HCOO]- 338.17618 185.5
[M+CH3COO]- 352.19183 179.5
[M+Na-2H]- 314.15265 172.8
[M]+ 293.17743 164.8
[M]- 293.17853 164.8
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.