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]+ 340.190716 180.2
[M+Na]+ 362.172658 185.2
[M-H]- 338.176164 189.9
[M+NH4]+ 357.217263 194.5
[M+K]+ 378.146598 186.6
[M+H-H2O]+ 322.180700 174.4
[M+HCOO]- 384.181641 195.5
[M+CH3COO]- 398.197291 190.3
[M+Na-2H]- 360.158106 185.4
[M]+ 339.18289142 179.1
[M]- 339.18398858 179.1
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.