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]+ 255.12404 158.0
[M+Na]+ 277.10598 169.3
[M-H]- 253.10948 160.2
[M+NH4]+ 272.15058 171.9
[M+K]+ 293.07992 163.2
[M+H-H2O]+ 237.11402 148.5
[M+HCOO]- 299.11496 176.8
[M+CH3COO]- 313.13061 169.7
[M+Na-2H]- 275.09143 163.3
[M]+ 254.11621 159.5
[M]- 254.11731 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.