CID 3064456

4h-pyrazino(3,2,1-jk)carbazole, 5,6-dihydro-10-chloro-, hydrochloride

Structural Information

Molecular Formula
C14H11ClN2
SMILES
C1CC2=C3C(=NC=CN3C4=C2C=CC=C4Cl)C1
InChI
InChI=1S/C14H11ClN2/c15-11-5-1-3-9-10-4-2-6-12-14(10)17(13(9)11)8-7-16-12/h1,3,5,7-8H,2,4,6H2
InChIKey
CAVMNVSNPFYCDH-UHFFFAOYSA-N
Compound name
14-chloro-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,4,9(16),10(15),11,13-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.06108 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06836 151.5
[M+Na]+ 265.05030 163.3
[M-H]- 241.05380 154.6
[M+NH4]+ 260.09490 172.6
[M+K]+ 281.02424 156.3
[M+H-H2O]+ 225.05834 143.8
[M+HCOO]- 287.05928 165.8
[M+CH3COO]- 301.07493 164.3
[M+Na-2H]- 263.03575 159.5
[M]+ 242.06053 154.7
[M]- 242.06163 154.7
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.