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 164.9
[M+Na]+ 307.12057 174.0
[M-H]- 283.12407 169.7
[M+NH4]+ 302.16517 182.0
[M+K]+ 323.09451 165.7
[M+H-H2O]+ 267.12861 155.2
[M+HCOO]- 329.12955 181.6
[M+CH3COO]- 343.14520 175.7
[M+Na-2H]- 305.10602 172.0
[M]+ 284.13080 163.6
[M]- 284.13190 163.6
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.