CID 3043025

2,3,3a,4,5,6-hexahydro-8,10-dimethyl-1h-pyrazino(3,2,1-jk)carbazole monohydrochloride

Structural Information

Molecular Formula
C16H20N2
SMILES
CC1=CC(=C2C(=C1)C3=C4N2CCNC4CCC3)C
InChI
InChI=1S/C16H20N2/c1-10-8-11(2)15-13(9-10)12-4-3-5-14-16(12)18(15)7-6-17-14/h8-9,14,17H,3-7H2,1-2H3
InChIKey
KGWQAFVBYHUODZ-UHFFFAOYSA-N
Compound name
12,14-dimethyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.16264 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16992 156.8
[M+Na]+ 263.15186 165.4
[M-H]- 239.15536 158.2
[M+NH4]+ 258.19646 176.7
[M+K]+ 279.12580 158.9
[M+H-H2O]+ 223.15990 149.1
[M+HCOO]- 285.16084 170.7
[M+CH3COO]- 299.17649 167.8
[M+Na-2H]- 261.13731 161.2
[M]+ 240.16209 154.4
[M]- 240.16319 154.4
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.