CID 135401477

5-(2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7h-pyrazolo[4,3-d]-7-pyrimidinone

Structural Information

Molecular Formula
C17H20N4O2
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=CC=CC=C3OCC)C
InChI
InChI=1S/C17H20N4O2/c1-4-8-12-14-15(21(3)20-12)17(22)19-16(18-14)11-9-6-7-10-13(11)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,22)
InChIKey
MXQUEDUMKWBYHI-UHFFFAOYSA-N
Compound name
5-(2-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

73
Patents

312.15863 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16591 175.7
[M+Na]+ 335.14785 187.5
[M-H]- 311.15135 178.0
[M+NH4]+ 330.19245 187.8
[M+K]+ 351.12179 180.8
[M+H-H2O]+ 295.15589 165.8
[M+HCOO]- 357.15683 194.5
[M+CH3COO]- 371.17248 186.6
[M+Na-2H]- 333.13330 178.9
[M]+ 312.15808 180.9
[M]- 312.15918 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe