CID 3057681

Ethanol, 2-((1,3-dimethyl-3h-pyrazolo(3,4-c)isoquinolin-5-yl)oxy)-

Structural Information

Molecular Formula
C14H15N3O2
SMILES
CC1=NN(C2=C1C3=CC=CC=C3C(=N2)OCCO)C
InChI
InChI=1S/C14H15N3O2/c1-9-12-10-5-3-4-6-11(10)14(19-8-7-18)15-13(12)17(2)16-9/h3-6,18H,7-8H2,1-2H3
InChIKey
POXSQOPPPMTODQ-UHFFFAOYSA-N
Compound name
2-(1,3-dimethylpyrazolo[3,4-c]isoquinolin-5-yl)oxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

257.11642 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12370 158.7
[M+Na]+ 280.10564 170.8
[M-H]- 256.10914 160.1
[M+NH4]+ 275.15024 175.6
[M+K]+ 296.07958 165.8
[M+H-H2O]+ 240.11368 150.6
[M+HCOO]- 302.11462 178.3
[M+CH3COO]- 316.13027 171.1
[M+Na-2H]- 278.09109 165.1
[M]+ 257.11587 164.2
[M]- 257.11697 164.2
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