CID 1402971

1h-pyrazino(3,2,1-jk)carbazole, 2,4,5,6-tetrahydro-8-phenyl-, monomethanesulfonate

Structural Information

Molecular Formula
C20H18N2
SMILES
C1CC2=C3C(=NCCN3C4=C2C=C(C=C4)C5=CC=CC=C5)C1
InChI
InChI=1S/C20H18N2/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/h1-3,5-6,9-10,13H,4,7-8,11-12H2
InChIKey
WXPVMCVBNSRZQA-UHFFFAOYSA-N
Compound name
12-phenyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,9(16),10(15),11,13-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5
Patents

286.147 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15428 166.2
[M+Na]+ 309.13622 174.7
[M-H]- 285.13972 171.9
[M+NH4]+ 304.18082 183.8
[M+K]+ 325.11016 167.2
[M+H-H2O]+ 269.14426 156.0
[M+HCOO]- 331.14520 182.9
[M+CH3COO]- 345.16085 177.1
[M+Na-2H]- 307.12167 172.5
[M]+ 286.14645 165.1
[M]- 286.14755 165.1
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.