CID 5904096

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

Structural Information

Molecular Formula
C18H15ClN6O4
SMILES
CC1=C(N=NN1C2=CC(=CC=C2)[N+](=O)[O-])/C(=N\NC(=O)C3=C(C=C(C=C3)Cl)O)/C
InChI
InChI=1S/C18H15ClN6O4/c1-10(20-22-18(27)15-7-6-12(19)8-16(15)26)17-11(2)24(23-21-17)13-4-3-5-14(9-13)25(28)29/h3-9,26H,1-2H3,(H,22,27)/b20-10-
InChIKey
NREIHHHQOMXMBW-JMIUGGIZSA-N
Compound name
4-chloro-2-hydroxy-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

414.08432 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.09160 193.2
[M+Na]+ 437.07354 199.3
[M-H]- 413.07704 200.2
[M+NH4]+ 432.11814 200.2
[M+K]+ 453.04748 190.1
[M+H-H2O]+ 397.08158 187.2
[M+HCOO]- 459.08252 211.2
[M+CH3COO]- 473.09817 221.2
[M+Na-2H]- 435.05899 196.7
[M]+ 414.08377 194.4
[M]- 414.08487 194.4
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.