CID 68674

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

Structural Information

Molecular Formula
C19H21NO3
SMILES
CN(C)CC1COC2(O1)C3=CC=CC=C3COC4=CC=CC=C24
InChI
InChI=1S/C19H21NO3/c1-20(2)11-15-13-22-19(23-15)16-8-4-3-7-14(16)12-21-18-10-6-5-9-17(18)19/h3-10,15H,11-13H2,1-2H3
InChIKey
CMEBTCWURHMCEE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-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

39
Patents

311.15213 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 170.9
[M+Na]+ 334.14135 177.2
[M-H]- 310.14485 182.3
[M+NH4]+ 329.18595 187.0
[M+K]+ 350.11529 179.7
[M+H-H2O]+ 294.14939 165.3
[M+HCOO]- 356.15033 188.3
[M+CH3COO]- 370.16598 182.5
[M+Na-2H]- 332.12680 177.5
[M]+ 311.15158 170.9
[M]- 311.15268 170.9
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

patents stripe