CID 3077446

1h-pyrazino(3,2,1-jk)carbazole, 2,3-dihydro-8-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C20H16N2
SMILES
C1CN2C3=C(C=C(C=C3)C4=CC=CC=C4)C5=C2C(=CC=C5)N1
InChI
InChI=1S/C20H16N2/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/h1-10,13,21H,11-12H2
InChIKey
YIRJTTUGGIMJDD-UHFFFAOYSA-N
Compound name
12-phenyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.13135 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13863 166.3
[M+Na]+ 307.12057 184.2
[M+NH4]+ 302.16517 177.5
[M+K]+ 323.09451 175.2
[M-H]- 283.12407 172.2
[M+Na-2H]- 305.10602 174.9
[M]+ 284.13080 170.9
[M]- 284.13190 170.9
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.