CID 217916

Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(1-pyrrolidinyl)methyl-, maleate

Structural Information

Molecular Formula
C21H23NO3
SMILES
C1CCN(C1)CC2COC3(O2)C4=CC=CC=C4COC5=CC=CC=C35
InChI
InChI=1S/C21H23NO3/c1-2-8-18-16(7-1)14-23-20-10-4-3-9-19(20)21(18)24-15-17(25-21)13-22-11-5-6-12-22/h1-4,7-10,17H,5-6,11-15H2
InChIKey
VYHLMNZBSMLPET-UHFFFAOYSA-N
Compound name
1-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1678 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.175076 177.6
[M+Na]+ 360.157018 183.2
[M-H]- 336.160524 188.8
[M+NH4]+ 355.201623 192.1
[M+K]+ 376.130958 182.7
[M+H-H2O]+ 320.165060 171.1
[M+HCOO]- 382.166001 190.9
[M+CH3COO]- 396.181651 187.6
[M+Na-2H]- 358.142466 179.6
[M]+ 337.16725142 173.7
[M]- 337.16834858 173.7
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.

Patent stripe

No patent data available for this compound.