CID 3070853

86927-77-7

Structural Information

Molecular Formula
C14H14N4O
SMILES
CC1=C2C(=NN1)C(=O)N(C=N2)C(C)C3=CC=CC=C3
InChI
InChI=1S/C14H14N4O/c1-9-12-13(17-16-9)14(19)18(8-15-12)10(2)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,16,17)
InChIKey
IPBOGFHOJWRWIY-UHFFFAOYSA-N
Compound name
3-methyl-6-(1-phenylethyl)-2H-pyrazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.11676 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.124036 158.0
[M+Na]+ 277.105978 169.3
[M-H]- 253.109484 160.2
[M+NH4]+ 272.150583 171.9
[M+K]+ 293.079918 163.2
[M+H-H2O]+ 237.114020 148.5
[M+HCOO]- 299.114961 176.8
[M+CH3COO]- 313.130611 169.7
[M+Na-2H]- 275.091426 163.3
[M]+ 254.11621142 159.5
[M]- 254.11730858 159.5
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.