CID 6243149

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

Structural Information

Molecular Formula
C18H14Cl2N6O3
SMILES
CC1=C(N=NN1C2=CC(=CC=C2)[N+](=O)[O-])/C(=N\NC(=O)C3=C(C=C(C=C3)Cl)Cl)/C
InChI
InChI=1S/C18H14Cl2N6O3/c1-10(21-23-18(27)15-7-6-12(19)8-16(15)20)17-11(2)25(24-22-17)13-4-3-5-14(9-13)26(28)29/h3-9H,1-2H3,(H,23,27)/b21-10-
InChIKey
SHCJKGDFOSANLZ-FBHDLOMBSA-N
Compound name
2,4-dichloro-N-[(Z)-1-[5-methyl-1-(3-nitrophenyl)triazol-4-yl]ethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.05045 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.05773 199.1
[M+Na]+ 455.03967 205.8
[M-H]- 431.04317 206.0
[M+NH4]+ 450.08427 206.5
[M+K]+ 471.01361 195.9
[M+H-H2O]+ 415.04771 193.0
[M+HCOO]- 477.04865 213.0
[M+CH3COO]- 491.06430 225.3
[M+Na-2H]- 453.02512 201.4
[M]+ 432.04990 202.0
[M]- 432.05100 202.0
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.