CID 103683

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

Structural Information

Molecular Formula
C21H25NO3
SMILES
CC(C)CNCC1COC2(O1)C3=CC=CC=C3COC4=CC=CC=C24
InChI
InChI=1S/C21H25NO3/c1-15(2)11-22-12-17-14-24-21(25-17)18-8-4-3-7-16(18)13-23-20-10-6-5-9-19(20)21/h3-10,15,17,22H,11-14H2,1-2H3
InChIKey
XVWDBQGPHJAQKW-UHFFFAOYSA-N
Compound name
2-methyl-N-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.18344 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.19072 186.5
[M+Na]+ 362.17266 196.6
[M+NH4]+ 357.21726 195.5
[M+K]+ 378.14660 190.9
[M-H]- 338.17616 193.9
[M+Na-2H]- 360.15811 190.2
[M]+ 339.18289 190.3
[M]- 339.18399 190.3
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.