CID 382362

Nsc669832

Structural Information

Molecular Formula
C14H11Cl2N3O
SMILES
CN1C(OC(=N1)C2=CC=NC=C2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H11Cl2N3O/c1-19-14(10-2-3-11(15)12(16)8-10)20-13(18-19)9-4-6-17-7-5-9/h2-8,14H,1H3
InChIKey
GXTUBWJNQSMKQQ-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-3-methyl-5-pyridin-4-yl-2H-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.02792 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.03520 167.7
[M+Na]+ 330.01714 179.1
[M-H]- 306.02064 173.6
[M+NH4]+ 325.06174 180.2
[M+K]+ 345.99108 173.2
[M+H-H2O]+ 290.02518 157.8
[M+HCOO]- 352.02612 177.6
[M+CH3COO]- 366.04177 179.0
[M+Na-2H]- 328.00259 170.0
[M]+ 307.02737 171.4
[M]- 307.02847 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.