CID 3075166

172701-69-8

Structural Information

Molecular Formula
C19H13Cl2N7O4
SMILES
COC1=C(N(N=C1C2=NN=C(O2)CCl)C3=CC(=CC=C3)Cl)N=NC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C19H13Cl2N7O4/c1-31-17-16(19-25-23-15(10-20)32-19)26-27(14-4-2-3-11(21)9-14)18(17)24-22-12-5-7-13(8-6-12)28(29)30/h2-9H,10H2,1H3
InChIKey
GFNIMJBHZLTNCT-UHFFFAOYSA-N
Compound name
[5-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-2-(3-chlorophenyl)-4-methoxypyrazol-3-yl]-(4-nitrophenyl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.04062 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.04790 210.5
[M+Na]+ 496.02984 219.1
[M-H]- 472.03334 221.9
[M+NH4]+ 491.07444 215.6
[M+K]+ 512.00378 210.7
[M+H-H2O]+ 456.03788 201.9
[M+HCOO]- 518.03882 227.4
[M+CH3COO]- 532.05447 232.5
[M+Na-2H]- 494.01529 214.5
[M]+ 473.04007 218.9
[M]- 473.04117 218.9
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.