CID 16767323

924871-62-5

Structural Information

Molecular Formula
C9H13N5O
SMILES
CC(CN1C=NC2=C(C1=O)C=NN2C)N
InChI
InChI=1S/C9H13N5O/c1-6(10)4-14-5-11-8-7(9(14)15)3-12-13(8)2/h3,5-6H,4,10H2,1-2H3
InChIKey
QOYIJNPYQZNXKP-UHFFFAOYSA-N
Compound name
5-(2-aminopropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.11201 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11929 143.7
[M+Na]+ 230.10123 156.3
[M+NH4]+ 225.14583 149.9
[M+K]+ 246.07517 153.4
[M-H]- 206.10473 143.4
[M+Na-2H]- 228.08668 148.6
[M]+ 207.11146 145.1
[M]- 207.11256 145.1
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.