CID 3077443

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

Structural Information

Molecular Formula
C20H20N2
SMILES
C1CC2C3=C(C1)C4=C(N3CCN2)C=CC(=C4)C5=CC=CC=C5
InChI
InChI=1S/C20H20N2/c1-2-5-14(6-3-1)15-9-10-19-17(13-15)16-7-4-8-18-20(16)22(19)12-11-21-18/h1-3,5-6,9-10,13,18,21H,4,7-8,11-12H2
InChIKey
ZSJHCDGFMRJUFK-UHFFFAOYSA-N
Compound name
12-phenyl-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

288.16266 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16994 166.6
[M+Na]+ 311.15188 173.7
[M-H]- 287.15538 170.6
[M+NH4]+ 306.19648 183.4
[M+K]+ 327.12582 165.6
[M+H-H2O]+ 271.15992 156.8
[M+HCOO]- 333.16086 180.4
[M+CH3COO]- 347.17651 176.4
[M+Na-2H]- 309.13733 171.7
[M]+ 288.16211 162.4
[M]- 288.16321 162.4
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.