CID 5895791

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

Structural Information

Molecular Formula
C19H17N7O6
SMILES
CC1=C(N=NN1C2=CC(=CC=C2)[N+](=O)[O-])/C(=N\NC(=O)COC3=CC=CC=C3[N+](=O)[O-])/C
InChI
InChI=1S/C19H17N7O6/c1-12(20-21-18(27)11-32-17-9-4-3-8-16(17)26(30)31)19-13(2)24(23-22-19)14-6-5-7-15(10-14)25(28)29/h3-10H,11H2,1-2H3,(H,21,27)/b20-12-
InChIKey
ORCUCJVYGYRJKB-NDENLUEZSA-N
Compound name
N-[(Z)-1-[5-methyl-1-(3-nitrophenyl)triazol-4-yl]ethylideneamino]-2-(2-nitrophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.12402 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.13130 196.8
[M+Na]+ 462.11324 198.5
[M-H]- 438.11674 204.5
[M+NH4]+ 457.15784 200.6
[M+K]+ 478.08718 187.6
[M+H-H2O]+ 422.12128 193.2
[M+HCOO]- 484.12222 220.2
[M+CH3COO]- 498.13787 222.8
[M+Na-2H]- 460.09869 204.6
[M]+ 439.12347 194.7
[M]- 439.12457 194.7
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.