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 199.7
[M+Na]+ 451.04476 211.6
[M-H]- 427.04826 211.0
[M+NH4]+ 446.08936 208.1
[M+K]+ 467.01870 205.8
[M+H-H2O]+ 411.05280 186.7
[M+HCOO]- 473.05374 216.3
[M+CH3COO]- 487.06939 210.3
[M+Na-2H]- 449.03021 201.4
[M]+ 428.05499 209.9
[M]- 428.05609 209.9
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.