CID 217918

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

Structural Information

Molecular Formula
C22H25NO3
SMILES
C1CCN(CC1)CC2COC3(O2)C4=CC=CC=C4COC5=CC=CC=C35
InChI
InChI=1S/C22H25NO3/c1-6-12-23(13-7-1)14-18-16-25-22(26-18)19-9-3-2-8-17(19)15-24-21-11-5-4-10-20(21)22/h2-5,8-11,18H,1,6-7,12-16H2
InChIKey
NXDAWKLKQHJMKU-UHFFFAOYSA-N
Compound name
1-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.18344 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.19072 181.7
[M+Na]+ 374.17266 186.1
[M-H]- 350.17616 192.1
[M+NH4]+ 369.21726 193.8
[M+K]+ 390.14660 186.1
[M+H-H2O]+ 334.18070 173.5
[M+HCOO]- 396.18164 192.6
[M+CH3COO]- 410.19729 190.6
[M+Na-2H]- 372.15811 185.1
[M]+ 351.18289 175.9
[M]- 351.18399 175.9
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.