CID 9656123

2-(2-isopropyl-5-methylphenoxy)-n'-(4-nitrobenzylidene)acetohydrazide

Structural Information

Molecular Formula
C19H21N3O4
SMILES
CC1=CC(=C(C=C1)C(C)C)OCC(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C19H21N3O4/c1-13(2)17-9-4-14(3)10-18(17)26-12-19(23)21-20-11-15-5-7-16(8-6-15)22(24)25/h4-11,13H,12H2,1-3H3,(H,21,23)/b20-11+
InChIKey
AJWKLOMLVPXTLC-RGVLZGJSSA-N
Compound name
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1532 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.16048 183.7
[M+Na]+ 378.14242 195.5
[M+NH4]+ 373.18702 189.5
[M+K]+ 394.11636 191.7
[M-H]- 354.14592 189.2
[M+Na-2H]- 376.12787 190.2
[M]+ 355.15265 186.6
[M]- 355.15375 186.6
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.