CID 3057683

74123-63-0

Structural Information

Molecular Formula
C16H17N3O2
SMILES
CCC1=NN(C2=C1C3=CC=CC=C3C(=N2)OCC(=O)C)C
InChI
InChI=1S/C16H17N3O2/c1-4-13-14-11-7-5-6-8-12(11)16(21-9-10(2)20)17-15(14)19(3)18-13/h5-8H,4,9H2,1-3H3
InChIKey
ANIYUHHMZGSOTH-UHFFFAOYSA-N
Compound name
1-(1-ethyl-3-methylpyrazolo[3,4-c]isoquinolin-5-yl)oxypropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

283.13208 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13936 165.9
[M+Na]+ 306.12130 180.9
[M+NH4]+ 301.16590 173.3
[M+K]+ 322.09524 175.5
[M-H]- 282.12480 167.0
[M+Na-2H]- 304.10675 171.0
[M]+ 283.13153 168.4
[M]- 283.13263 168.4
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