CID 337393
79441-92-2
Structural Information
- Molecular Formula
- C25H16N6
- SMILES
- C1=CC=C(C=C1)C2=CN=NC3=C4C(=C(N=NC4=NN23)C5=CC=CC=C5)C6=CC=CC=C6
- InChI
- InChI=1S/C25H16N6/c1-4-10-17(11-5-1)20-16-26-29-25-22-21(18-12-6-2-7-13-18)23(19-14-8-3-9-15-19)27-28-24(22)30-31(20)25/h1-16H
- InChIKey
- KJPUGCZAQOOLMU-UHFFFAOYSA-N
- Compound name
- 6,12,13-triphenyl-3,4,7,8,10,11-hexazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 401.15093 | 199.4 |
[M+Na]+ | 423.13287 | 210.3 |
[M-H]- | 399.13637 | 206.3 |
[M+NH4]+ | 418.17747 | 204.3 |
[M+K]+ | 439.10681 | 199.0 |
[M+H-H2O]+ | 383.14091 | 184.0 |
[M+HCOO]- | 445.14185 | 214.5 |
[M+CH3COO]- | 459.15750 | 207.2 |
[M+Na-2H]- | 421.11832 | 205.9 |
[M]+ | 400.14310 | 199.8 |
[M]- | 400.14420 | 199.8 |
Literature stripe
Patent stripe
No patent data available for this compound.