CID 3059043

1h-pyrazino(3,2,1-jk)carbazole, 2,3,3a,4,5,6-hexahydro-9-chloro-3-ethyl-, hydrochloride

Structural Information

Molecular Formula
C16H19ClN2
SMILES
CCN1CCN2C3=C(C=CC(=C3)Cl)C4=C2C1CCC4
InChI
InChI=1S/C16H19ClN2/c1-2-18-8-9-19-15-10-11(17)6-7-12(15)13-4-3-5-14(18)16(13)19/h6-7,10,14H,2-5,8-9H2,1H3
InChIKey
XAJPMNBFURMMGN-UHFFFAOYSA-N
Compound name
13-chloro-4-ethyl-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

0
Patents

274.1237 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13098 164.4
[M+Na]+ 297.11292 174.0
[M-H]- 273.11642 166.6
[M+NH4]+ 292.15752 184.2
[M+K]+ 313.08686 166.9
[M+H-H2O]+ 257.12096 156.3
[M+HCOO]- 319.12190 174.9
[M+CH3COO]- 333.13755 175.3
[M+Na-2H]- 295.09837 168.3
[M]+ 274.12315 165.6
[M]- 274.12425 165.6
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.