CID 5895376

2-(2,4-dichlorophenoxy)-n'-{(z)-1-[5-methyl-1-(3-nitrophenyl)-1h-1,2,3-triazol-4-yl]ethylidene}acetohydrazide

Structural Information

Molecular Formula
C19H16Cl2N6O4
SMILES
CC1=C(N=NN1C2=CC(=CC=C2)[N+](=O)[O-])/C(=N\NC(=O)COC3=C(C=C(C=C3)Cl)Cl)/C
InChI
InChI=1S/C19H16Cl2N6O4/c1-11(22-23-18(28)10-31-17-7-6-13(20)8-16(17)21)19-12(2)26(25-24-19)14-4-3-5-15(9-14)27(29)30/h3-9H,10H2,1-2H3,(H,23,28)/b22-11-
InChIKey
MAMZLOSMIHFOBA-JJFYIABZSA-N
Compound name
2-(2,4-dichlorophenoxy)-N-[(Z)-1-[5-methyl-1-(3-nitrophenyl)triazol-4-yl]ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.061 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.06828 205.3
[M+Na]+ 485.05022 211.2
[M-H]- 461.05372 212.1
[M+NH4]+ 480.09482 211.4
[M+K]+ 501.02416 201.9
[M+H-H2O]+ 445.05826 198.9
[M+HCOO]- 507.05920 219.0
[M+CH3COO]- 521.07485 230.2
[M+Na-2H]- 483.03567 207.5
[M]+ 462.06045 209.7
[M]- 462.06155 209.7
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.