CID 135548208

172701-65-4

Structural Information

Molecular Formula
C19H16Cl2N6O3
SMILES
COC1=C(N(N=C1C(=O)NNC(=O)CCl)C2=CC(=CC=C2)Cl)N=NC3=CC=CC=C3
InChI
InChI=1S/C19H16Cl2N6O3/c1-30-17-16(19(29)25-23-15(28)11-20)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,(H,23,28)(H,25,29)
InChIKey
BNKVKIACVHAQKH-UHFFFAOYSA-N
Compound name
N'-(2-chloroacetyl)-1-(3-chlorophenyl)-4-methoxy-5-phenyldiazenylpyrazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.0661 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.07338 200.6
[M+Na]+ 469.05532 212.7
[M+NH4]+ 464.09992 205.8
[M+K]+ 485.02926 207.3
[M-H]- 445.05882 206.1
[M+Na-2H]- 467.04077 208.9
[M]+ 446.06555 204.1
[M]- 446.06665 204.1
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.