CID 103679

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

Structural Information

Molecular Formula
C18H19NO3
SMILES
CNCC1COC2(O1)C3=CC=CC=C3COC4=CC=CC=C24
InChI
InChI=1S/C18H19NO3/c1-19-10-14-12-21-18(22-14)15-7-3-2-6-13(15)11-20-17-9-5-4-8-16(17)18/h2-9,14,19H,10-12H2,1H3
InChIKey
LGDVIIWSSJWPGS-UHFFFAOYSA-N
Compound name
N-methyl-1-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1365 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14378 166.2
[M+Na]+ 320.12572 172.8
[M-H]- 296.12922 176.4
[M+NH4]+ 315.17032 182.2
[M+K]+ 336.09966 174.2
[M+H-H2O]+ 280.13376 160.8
[M+HCOO]- 342.13470 183.4
[M+CH3COO]- 356.15035 177.7
[M+Na-2H]- 318.11117 174.0
[M]+ 297.13595 164.8
[M]- 297.13705 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.