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[5,4-c]isoquinolin-5-yl)oxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

257.11642 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.123696 158.7
[M+Na]+ 280.105638 170.8
[M-H]- 256.109144 160.1
[M+NH4]+ 275.150243 175.6
[M+K]+ 296.079578 165.8
[M+H-H2O]+ 240.113680 150.6
[M+HCOO]- 302.114621 178.3
[M+CH3COO]- 316.130271 171.1
[M+Na-2H]- 278.091086 165.1
[M]+ 257.11587142 164.2
[M]- 257.11696858 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