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 166.8
[M+Na]+ 306.12130 178.3
[M-H]- 282.12480 169.2
[M+NH4]+ 301.16590 183.1
[M+K]+ 322.09524 173.6
[M+H-H2O]+ 266.12934 158.2
[M+HCOO]- 328.13028 186.3
[M+CH3COO]- 342.14593 204.0
[M+Na-2H]- 304.10675 171.4
[M]+ 283.13153 173.4
[M]- 283.13263 173.4
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