CID 135429376

5-dimethylamino-2-(3-isoquinolin-1-yl-[1,2,4]oxadiazol-5-yl)-phenol

Structural Information

Molecular Formula
C19H16N4O2
SMILES
CN(C)C1=CC(=C(C=C1)C2=NC(=NO2)C3=NC=CC4=CC=CC=C43)O
InChI
InChI=1S/C19H16N4O2/c1-23(2)13-7-8-15(16(24)11-13)19-21-18(22-25-19)17-14-6-4-3-5-12(14)9-10-20-17/h3-11,24H,1-2H3
InChIKey
HJXSANGFZHCGBP-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

332.12732 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13460 178.1
[M+Na]+ 355.11654 188.5
[M-H]- 331.12004 186.9
[M+NH4]+ 350.16114 188.8
[M+K]+ 371.09048 184.0
[M+H-H2O]+ 315.12458 167.3
[M+HCOO]- 377.12552 199.3
[M+CH3COO]- 391.14117 189.6
[M+Na-2H]- 353.10199 183.8
[M]+ 332.12677 182.4
[M]- 332.12787 182.4
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