CID 135746694

Cyclopenta(5,6)pyrido(2,3-d)pyrimidine, 2,4-diamino-

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

1
Patents

199.0858 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.093076 139.6
[M+Na]+ 222.075018 151.3
[M-H]- 198.078524 140.4
[M+NH4]+ 217.119623 157.6
[M+K]+ 238.048958 145.3
[M+H-H2O]+ 182.083060 132.1
[M+HCOO]- 244.084001 161.3
[M+CH3COO]- 258.099651 152.4
[M+Na-2H]- 220.060466 148.5
[M]+ 199.08525142 137.6
[M]- 199.08634858 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