CID 390792

Nsc688726

Structural Information

Molecular Formula
C11H11N7O
SMILES
COC1=CC=CC(=C1)N2C3=NC(=NC(=C3N=N2)N)N
InChI
InChI=1S/C11H11N7O/c1-19-7-4-2-3-6(5-7)18-10-8(16-17-18)9(12)14-11(13)15-10/h2-5H,1H3,(H4,12,13,14,15)
InChIKey
JAMCVWXBRGICRC-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidine-5,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1025 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10978 157.1
[M+Na]+ 280.09172 169.5
[M-H]- 256.09522 159.4
[M+NH4]+ 275.13632 169.6
[M+K]+ 296.06566 163.9
[M+H-H2O]+ 240.09976 147.0
[M+HCOO]- 302.10070 178.8
[M+CH3COO]- 316.11635 168.9
[M+Na-2H]- 278.07717 164.4
[M]+ 257.10195 158.6
[M]- 257.10305 158.6
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

No patent data available for this compound.