CID 3043023

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

Structural Information

Molecular Formula
C15H18N2
SMILES
CC1=C2C(=CC=C1)C3=C4N2CCNC4CCC3
InChI
InChI=1S/C15H18N2/c1-10-4-2-5-11-12-6-3-7-13-15(12)17(14(10)11)9-8-16-13/h2,4-5,13,16H,3,6-9H2,1H3
InChIKey
RSKZASJSLZHRHS-UHFFFAOYSA-N
Compound name
14-methyl-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

226.147 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.154276 151.4
[M+Na]+ 249.136218 159.5
[M-H]- 225.139724 152.5
[M+NH4]+ 244.180823 171.5
[M+K]+ 265.110158 153.2
[M+H-H2O]+ 209.144260 143.5
[M+HCOO]- 271.145201 165.6
[M+CH3COO]- 285.160851 162.4
[M+Na-2H]- 247.121666 157.0
[M]+ 226.14645142 148.2
[M]- 226.14754858 148.2
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.