CID 206793

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

Structural Information

Molecular Formula
C17H22N2
SMILES
CCN1CCN2C3=C(C=C(C=C3)C)C4=C2C1CCC4
InChI
InChI=1S/C17H22N2/c1-3-18-9-10-19-15-8-7-12(2)11-14(15)13-5-4-6-16(18)17(13)19/h7-8,11,16H,3-6,9-10H2,1-2H3
InChIKey
KCLUBMVVJCKVBS-UHFFFAOYSA-N
Compound name
4-ethyl-12-methyl-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

7
References

0
Patents

254.1783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.18558 161.4
[M+Na]+ 277.16752 169.8
[M-H]- 253.17102 163.8
[M+NH4]+ 272.21212 181.3
[M+K]+ 293.14146 164.0
[M+H-H2O]+ 237.17556 153.0
[M+HCOO]- 299.17650 176.3
[M+CH3COO]- 313.19215 172.5
[M+Na-2H]- 275.15297 165.4
[M]+ 254.17775 160.9
[M]- 254.17885 160.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.