CID 3061965

Brn 4450349

Structural Information

Molecular Formula
C11H16N4O
SMILES
CC1=C2C(=NN1)C(=O)N(C=N2)CCC(C)C
InChI
InChI=1S/C11H16N4O/c1-7(2)4-5-15-6-12-9-8(3)13-14-10(9)11(15)16/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKey
LJCNZOJSNKFGEE-UHFFFAOYSA-N
Compound name
3-methyl-6-(3-methylbutyl)-2H-pyrazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.13242 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.13970 150.5
[M+Na]+ 243.12164 161.9
[M-H]- 219.12514 149.4
[M+NH4]+ 238.16624 166.5
[M+K]+ 259.09558 157.4
[M+H-H2O]+ 203.12968 142.4
[M+HCOO]- 265.13062 169.0
[M+CH3COO]- 279.14627 188.6
[M+Na-2H]- 241.10709 155.0
[M]+ 220.13187 153.6
[M]- 220.13297 153.6
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.