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]+ 338.17508 185.7
[M+Na]+ 360.15702 196.5
[M+NH4]+ 355.20162 195.3
[M+K]+ 376.13096 192.1
[M-H]- 336.16052 193.8
[M+Na-2H]- 358.14247 189.8
[M]+ 337.16725 189.9
[M]- 337.16835 189.9
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.