CID 135429354

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

Structural Information

Molecular Formula
C15H14N4O2
SMILES
CN(C)C1=CC(=C(C=C1)C2=NC(=NO2)C3=CC=CC=N3)O
InChI
InChI=1S/C15H14N4O2/c1-19(2)10-6-7-11(13(20)9-10)15-17-14(18-21-15)12-5-3-4-8-16-12/h3-9,20H,1-2H3
InChIKey
PCXJSGGAOQMPDM-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

282.11166 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.118936 164.1
[M+Na]+ 305.100878 173.1
[M-H]- 281.104384 171.6
[M+NH4]+ 300.145483 175.8
[M+K]+ 321.074818 170.2
[M+H-H2O]+ 265.108920 153.7
[M+HCOO]- 327.109861 185.7
[M+CH3COO]- 341.125511 176.0
[M+Na-2H]- 303.086326 168.9
[M]+ 282.11111142 166.5
[M]- 282.11220858 166.5
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