CID 283692

6h-(1,2,3)triazolo(4,5,1-de)acridin-6-one

Structural Information

Molecular Formula
C13H7N3O
SMILES
C1=CC=C2C(=C1)C(=O)C3=C4N2N=NC4=CC=C3
InChI
InChI=1S/C13H7N3O/c17-13-8-4-1-2-7-11(8)16-12-9(13)5-3-6-10(12)14-15-16/h1-7H
InChIKey
FMCYQYPHLJBLFT-UHFFFAOYSA-N
Compound name
1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

221.05891 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06619 145.2
[M+Na]+ 244.04813 158.9
[M-H]- 220.05163 148.4
[M+NH4]+ 239.09273 165.0
[M+K]+ 260.02207 153.1
[M+H-H2O]+ 204.05617 136.7
[M+HCOO]- 266.05711 166.4
[M+CH3COO]- 280.07276 159.1
[M+Na-2H]- 242.03358 156.4
[M]+ 221.05836 150.2
[M]- 221.05946 150.2
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

patents stripe