CID 135401477

139756-21-1

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

71
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 175.2
[M+Na]+ 335.14785 190.8
[M+NH4]+ 330.19245 181.2
[M+K]+ 351.12179 185.3
[M-H]- 311.15135 176.9
[M+Na-2H]- 333.13330 181.6
[M]+ 312.15808 177.9
[M]- 312.15918 177.9
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