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]+ 352.190716 181.7
[M+Na]+ 374.172658 186.1
[M-H]- 350.176164 192.1
[M+NH4]+ 369.217263 193.8
[M+K]+ 390.146598 186.1
[M+H-H2O]+ 334.180700 173.5
[M+HCOO]- 396.181641 192.6
[M+CH3COO]- 410.197291 190.6
[M+Na-2H]- 372.158106 185.1
[M]+ 351.18289142 175.9
[M]- 351.18398858 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.