CID 135429366

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

Structural Information

Molecular Formula
C14H10ClN3O2
SMILES
CC1=C(N=CC=C1)C2=NOC(=N2)C3=C(C=CC(=C3)Cl)O
InChI
InChI=1S/C14H10ClN3O2/c1-8-3-2-6-16-12(8)13-17-14(20-18-13)10-7-9(15)4-5-11(10)19/h2-7,19H,1H3
InChIKey
ZUACNKUFOAWODK-UHFFFAOYSA-N
Compound name
4-chloro-2-[3-(3-methylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

287.04614 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.05342 162.8
[M+Na]+ 310.03536 174.6
[M-H]- 286.03886 169.0
[M+NH4]+ 305.07996 175.2
[M+K]+ 326.00930 169.2
[M+H-H2O]+ 270.04340 153.5
[M+HCOO]- 332.04434 178.4
[M+CH3COO]- 346.05999 175.0
[M+Na-2H]- 308.02081 166.8
[M]+ 287.04559 166.7
[M]- 287.04669 166.7
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