CID 15956976

2-[5-(2-chloro-4-nitro-phenyl)-[1,2,4]oxadiazol-3-yl]-3-methyl-pyridine

Structural Information

Molecular Formula
C14H9ClN4O3
SMILES
CC1=C(N=CC=C1)C2=NOC(=N2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C14H9ClN4O3/c1-8-3-2-6-16-12(8)13-17-14(22-18-13)10-5-4-9(19(20)21)7-11(10)15/h2-7H,1H3
InChIKey
PHJNOUILZCWJGY-UHFFFAOYSA-N
Compound name
5-(2-chloro-4-nitrophenyl)-3-(3-methylpyridin-2-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

316.03632 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.04360 169.9
[M+Na]+ 339.02554 179.4
[M-H]- 315.02904 177.1
[M+NH4]+ 334.07014 180.3
[M+K]+ 354.99948 170.9
[M+H-H2O]+ 299.03358 164.3
[M+HCOO]- 361.03452 187.5
[M+CH3COO]- 375.05017 198.1
[M+Na-2H]- 337.01099 176.2
[M]+ 316.03577 172.5
[M]- 316.03687 172.5
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