CID 135746694

67239-08-1

Structural Information

Molecular Formula
C10H9N5
SMILES
C1=CC2=CC3=C(NC(=NC3=NC2=C1)N)N
InChI
InChI=1S/C10H9N5/c11-8-6-4-5-2-1-3-7(5)13-9(6)15-10(12)14-8/h1-4H,(H5,11,12,13,14,15)
InChIKey
QDNKRUGOXIPIRW-UHFFFAOYSA-N
Compound name
2,11,13-triazatricyclo[7.4.0.03,7]trideca-1,3,5,7,9,12-hexaene-10,12-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.0858 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09308 139.6
[M+Na]+ 222.07502 151.3
[M-H]- 198.07852 140.4
[M+NH4]+ 217.11962 157.6
[M+K]+ 238.04896 145.3
[M+H-H2O]+ 182.08306 132.1
[M+HCOO]- 244.08400 161.3
[M+CH3COO]- 258.09965 152.4
[M+Na-2H]- 220.06047 148.5
[M]+ 199.08525 137.6
[M]- 199.08635 137.6
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