CID 3070852

86927-76-6

Structural Information

Molecular Formula
C16H18N4O3
SMILES
CC1=C2C(=NN1)C(=O)N(C=N2)CCC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C16H18N4O3/c1-10-14-15(19-18-10)16(21)20(9-17-14)7-6-11-4-5-12(22-2)13(8-11)23-3/h4-5,8-9H,6-7H2,1-3H3,(H,18,19)
InChIKey
WHKLKOLMVGGEKS-UHFFFAOYSA-N
Compound name
6-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.13788 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.145156 173.9
[M+Na]+ 337.127098 185.8
[M-H]- 313.130604 176.4
[M+NH4]+ 332.171703 185.7
[M+K]+ 353.101038 180.1
[M+H-H2O]+ 297.135140 164.0
[M+HCOO]- 359.136081 193.1
[M+CH3COO]- 373.151731 205.2
[M+Na-2H]- 335.112546 177.7
[M]+ 314.13733142 180.1
[M]- 314.13842858 180.1
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.