CID 302271

52197-24-7

Structural Information

Molecular Formula
C13H10N8
SMILES
C1=CC=C2C(=C1)C(=C3C2=NC4=C(NN=C(C4=N3)N)N)N=N
InChI
InChI=1S/C13H10N8/c14-12-10-11(13(15)21-20-12)18-9-7(17-10)5-3-1-2-4-6(5)8(9)19-16/h1-4,16,20H,14H2,(H2,15,21)
InChIKey
AWYRFCVVUWLTKH-UHFFFAOYSA-N
Compound name
17-diazenyl-2,5,6,9-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),2,4,7,9,11,13,15-octaene-4,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.10284 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11012 157.4
[M+Na]+ 301.09206 170.9
[M-H]- 277.09556 160.4
[M+NH4]+ 296.13666 172.2
[M+K]+ 317.06600 163.6
[M+H-H2O]+ 261.10010 148.5
[M+HCOO]- 323.10104 181.5
[M+CH3COO]- 337.11669 169.5
[M+Na-2H]- 299.07751 169.4
[M]+ 278.10229 158.2
[M]- 278.10339 158.2
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

No patent data available for this compound.