CID 3075165

172701-68-7

Structural Information

Molecular Formula
C19H14Cl2N6O2
SMILES
COC1=C(N(N=C1C2=NN=C(O2)CCl)C3=CC(=CC=C3)Cl)N=NC4=CC=CC=C4
InChI
InChI=1S/C19H14Cl2N6O2/c1-28-17-16(19-25-23-15(11-20)29-19)26-27(14-9-5-6-12(21)10-14)18(17)24-22-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKey
GYUOGSSWFDOLBM-UHFFFAOYSA-N
Compound name
[5-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-2-(3-chlorophenyl)-4-methoxypyrazol-3-yl]-phenyldiazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.05554 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.06282 196.0
[M+Na]+ 451.04476 213.7
[M+NH4]+ 446.08936 202.6
[M+K]+ 467.01870 208.3
[M-H]- 427.04826 204.2
[M+Na-2H]- 449.03021 207.2
[M]+ 428.05499 201.5
[M]- 428.05609 201.5
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.