CID 3058328

3,9-dimethyl-7-phenyl-1,2,3,4,4a,5-hexahydropyrazino(1,2-a)(1,4)benzodiazepin dihydrochlorid

Structural Information

Molecular Formula
C20H23N3
SMILES
CC1=CC2=C(C=C1)N3CCN(CC3CN=C2C4=CC=CC=C4)C
InChI
InChI=1S/C20H23N3/c1-15-8-9-19-18(12-15)20(16-6-4-3-5-7-16)21-13-17-14-22(2)10-11-23(17)19/h3-9,12,17H,10-11,13-14H2,1-2H3
InChIKey
BMVYMDGSUSDOJR-UHFFFAOYSA-N
Compound name
3,9-dimethyl-7-phenyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

305.1892 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.19648 177.0
[M+Na]+ 328.17842 191.1
[M+NH4]+ 323.22302 185.4
[M+K]+ 344.15236 183.0
[M-H]- 304.18192 181.6
[M+Na-2H]- 326.16387 184.0
[M]+ 305.18865 180.6
[M]- 305.18975 180.6
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.