CID 3069660

8h-dibenz(b,f)isoxazolo(4,5-d)azepine-8-propanamine, n,n-dimethyl-3-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C26H25N3O
SMILES
CN(C)CCCN1C2=CC=CC=C2C3=C(C4=CC=CC=C41)ON=C3C5=CC=CC=C5
InChI
InChI=1S/C26H25N3O/c1-28(2)17-10-18-29-22-15-8-6-13-20(22)24-25(19-11-4-3-5-12-19)27-30-26(24)21-14-7-9-16-23(21)29/h3-9,11-16H,10,17-18H2,1-2H3
InChIKey
YLNZNPKDELFRJW-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-13-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.19977 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.20705 202.2
[M+Na]+ 418.18899 216.6
[M+NH4]+ 413.23359 210.4
[M+K]+ 434.16293 209.4
[M-H]- 394.19249 209.3
[M+Na-2H]- 416.17444 208.6
[M]+ 395.19922 206.6
[M]- 395.20032 206.6
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.