CID 4961797

63002-59-5

Structural Information

Molecular Formula
C13H10ClN3O2
SMILES
CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(O3)CCl
InChI
InChI=1S/C13H10ClN3O2/c1-8-11(13-16-15-10(7-14)18-13)12(17-19-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey
LGQHRDLTGASXNL-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.04614 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.05342 156.7
[M+Na]+ 298.03536 173.8
[M+NH4]+ 293.07996 164.5
[M+K]+ 314.00930 170.6
[M-H]- 274.03886 163.3
[M+Na-2H]- 296.02081 165.9
[M]+ 275.04559 161.5
[M]- 275.04669 161.5
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

No patent data available for this compound.