CID 135528125

172701-64-3

Structural Information

Molecular Formula
C21H21Cl2N7O3
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=C(C(=NN2C3=CC(=CC=C3)Cl)C(=O)NNC(=O)CCl)OC
InChI
InChI=1S/C21H21Cl2N7O3/c1-29(2)15-9-7-14(8-10-15)24-26-20-19(33-3)18(21(32)27-25-17(31)12-22)28-30(20)16-6-4-5-13(23)11-16/h4-11H,12H2,1-3H3,(H,25,31)(H,27,32)
InChIKey
MPURYHBRFSHLJF-UHFFFAOYSA-N
Compound name
N'-(2-chloroacetyl)-1-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]diazenyl]-4-methoxypyrazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.1083 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.11558 212.6
[M+Na]+ 512.09752 223.5
[M+NH4]+ 507.14212 217.1
[M+K]+ 528.07146 218.8
[M-H]- 488.10102 218.6
[M+Na-2H]- 510.08297 220.1
[M]+ 489.10775 216.0
[M]- 489.10885 216.0
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.