CID 10823542

162142-14-5

Structural Information

Molecular Formula
C13H19N3O
SMILES
CCC1=NN(C2=C1CCNC2=O)C3CCCC3
InChI
InChI=1S/C13H19N3O/c1-2-11-10-7-8-14-13(17)12(10)16(15-11)9-5-3-4-6-9/h9H,2-8H2,1H3,(H,14,17)
InChIKey
QJLZPHIDOKBEGS-UHFFFAOYSA-N
Compound name
1-cyclopentyl-3-ethyl-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

233.15282 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.160096 156.7
[M+Na]+ 256.142038 163.4
[M-H]- 232.145544 158.5
[M+NH4]+ 251.186643 174.3
[M+K]+ 272.115978 159.1
[M+H-H2O]+ 216.150080 148.4
[M+HCOO]- 278.151021 171.9
[M+CH3COO]- 292.166671 167.1
[M+Na-2H]- 254.127486 155.7
[M]+ 233.15227142 151.7
[M]- 233.15336858 151.7
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

patents stripe