CID 596791

111375-22-5

Structural Information

Molecular Formula
C6H7N5O
SMILES
COC1=NNC2=NC=NC(=C21)N
InChI
InChI=1S/C6H7N5O/c1-12-6-3-4(7)8-2-9-5(3)10-11-6/h2H,1H3,(H3,7,8,9,10,11)
InChIKey
KJZGPWZZKMXKRV-UHFFFAOYSA-N
Compound name
3-methoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

165.06506 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.07234 131.3
[M+Na]+ 188.05428 143.1
[M-H]- 164.05778 130.1
[M+NH4]+ 183.09888 148.7
[M+K]+ 204.02822 139.6
[M+H-H2O]+ 148.06232 123.4
[M+HCOO]- 210.06326 152.8
[M+CH3COO]- 224.07891 144.6
[M+Na-2H]- 186.03973 140.1
[M]+ 165.06451 132.0
[M]- 165.06561 132.0
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