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 145.1
[M+Na]+ 230.10123 156.9
[M-H]- 206.10473 145.3
[M+NH4]+ 225.14583 161.7
[M+K]+ 246.07517 153.4
[M+H-H2O]+ 190.10927 136.8
[M+HCOO]- 252.11021 166.3
[M+CH3COO]- 266.12586 189.5
[M+Na-2H]- 228.08668 150.8
[M]+ 207.11146 147.7
[M]- 207.11256 147.7
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.