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]+ 221.139696 150.5
[M+Na]+ 243.121638 161.9
[M-H]- 219.125144 149.4
[M+NH4]+ 238.166243 166.5
[M+K]+ 259.095578 157.4
[M+H-H2O]+ 203.129680 142.4
[M+HCOO]- 265.130621 169.0
[M+CH3COO]- 279.146271 188.6
[M+Na-2H]- 241.107086 155.0
[M]+ 220.13187142 153.6
[M]- 220.13296858 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.