CID 41178

54785-35-2

Structural Information

Molecular Formula
C16H12ClN5O
SMILES
CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Cl)C4=NNN=N4
InChI
InChI=1S/C16H12ClN5O/c1-9(15-19-21-22-20-15)11-4-7-14-13(8-11)18-16(23-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20,21,22)
InChIKey
HWYDUXWJTPHYRD-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5-[1-(2H-tetrazol-5-yl)ethyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.07303 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.08031 171.0
[M+Na]+ 348.06225 188.2
[M+NH4]+ 343.10685 178.1
[M+K]+ 364.03619 184.7
[M-H]- 324.06575 175.6
[M+Na-2H]- 346.04770 179.9
[M]+ 325.07248 175.2
[M]- 325.07358 175.2
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.