CID 10749649

7266-32-2

Structural Information

Molecular Formula
C10H7N3
SMILES
C1=CC2=C(NC3=C2C=CN=C3)N=C1
InChI
InChI=1S/C10H7N3/c1-2-8-7-3-5-11-6-9(7)13-10(8)12-4-1/h1-6H,(H,12,13)
InChIKey
HZIDRGNLSOMQRH-UHFFFAOYSA-N
Compound name
5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

169.064 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07128 132.0
[M+Na]+ 192.05322 143.6
[M-H]- 168.05672 132.9
[M+NH4]+ 187.09782 151.8
[M+K]+ 208.02716 138.3
[M+H-H2O]+ 152.06126 124.3
[M+HCOO]- 214.06220 152.8
[M+CH3COO]- 228.07785 145.6
[M+Na-2H]- 190.03867 143.0
[M]+ 169.06345 132.3
[M]- 169.06455 132.3
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