CID 135429809

Nsc29589

Structural Information

Molecular Formula
C14H24N6O
SMILES
CCCCCCCCCCN1C2=C(C(=O)NC(=N2)N)N=N1
InChI
InChI=1S/C14H24N6O/c1-2-3-4-5-6-7-8-9-10-20-12-11(18-19-20)13(21)17-14(15)16-12/h2-10H2,1H3,(H3,15,16,17,21)
InChIKey
FCWIDUYWDLXTMO-UHFFFAOYSA-N
Compound name
5-amino-3-decyl-6H-triazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.20117 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.20845 171.9
[M+Na]+ 315.19039 181.2
[M-H]- 291.19389 168.3
[M+NH4]+ 310.23499 182.9
[M+K]+ 331.16433 175.0
[M+H-H2O]+ 275.19843 161.9
[M+HCOO]- 337.19937 189.4
[M+CH3COO]- 351.21502 204.0
[M+Na-2H]- 313.17584 175.6
[M]+ 292.20062 175.3
[M]- 292.20172 175.3
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.