CID 3069666

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

Structural Information

Molecular Formula
C25H23N3O
SMILES
CN(C)CCN1C2=CC=CC=C2C3=C(C4=CC=CC=C41)ON=C3C5=CC=CC=C5
InChI
InChI=1S/C25H23N3O/c1-27(2)16-17-28-21-14-8-6-12-19(21)23-24(18-10-4-3-5-11-18)26-29-25(23)20-13-7-9-15-22(20)28/h3-15H,16-17H2,1-2H3
InChIKey
YHQOSBFJRBSXTR-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(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)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.1841 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.19138 197.7
[M+Na]+ 404.17332 212.4
[M+NH4]+ 399.21792 206.2
[M+K]+ 420.14726 205.4
[M-H]- 380.17682 204.9
[M+Na-2H]- 402.15877 204.4
[M]+ 381.18355 202.2
[M]- 381.18465 202.2
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.