CID 214808

2,3,3a,4,5,6-hexahydro-3,8-dimethyl-1h-pyrazino(3,2,1-jk)carbazole hydrochloride

Structural Information

Molecular Formula
C16H20N2
SMILES
CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)C
InChI
InChI=1S/C16H20N2/c1-11-6-7-14-13(10-11)12-4-3-5-15-16(12)18(14)9-8-17(15)2/h6-7,10,15H,3-5,8-9H2,1-2H3
InChIKey
XXEYXLGPFYMZNX-UHFFFAOYSA-N
Compound name
4,12-dimethyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

240.16264 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16992 155.8
[M+Na]+ 263.15186 170.6
[M+NH4]+ 258.19646 166.7
[M+K]+ 279.12580 163.3
[M-H]- 239.15536 159.1
[M+Na-2H]- 261.13731 160.0
[M]+ 240.16209 159.0
[M]- 240.16319 159.0
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

patents stripe