CID 3070854

86927-78-8

Structural Information

Molecular Formula
C14H14N4O2
SMILES
CC1=C2C(=NN1)C(=O)N(C=N2)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C14H14N4O2/c1-9-12-13(17-16-9)14(19)18(8-15-12)7-10-3-5-11(20-2)6-4-10/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKey
DIGXAMHVOSPHFA-UHFFFAOYSA-N
Compound name
6-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.11166 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11894 161.2
[M+Na]+ 293.10088 177.1
[M+NH4]+ 288.14548 167.7
[M+K]+ 309.07482 172.1
[M-H]- 269.10438 162.9
[M+Na-2H]- 291.08633 168.8
[M]+ 270.11111 163.9
[M]- 270.11221 163.9
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.