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 167.2
[M+Na]+ 309.13622 184.7
[M+NH4]+ 304.18082 178.6
[M+K]+ 325.11016 175.6
[M-H]- 285.13972 173.3
[M+Na-2H]- 307.12167 175.5
[M]+ 286.14645 171.8
[M]- 286.14755 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe