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 184.3
[M+Na]+ 378.14242 188.1
[M-H]- 354.14592 191.9
[M+NH4]+ 373.18702 195.9
[M+K]+ 394.11636 181.5
[M+H-H2O]+ 338.15046 179.3
[M+HCOO]- 400.15140 210.0
[M+CH3COO]- 414.16705 216.7
[M+Na-2H]- 376.12787 187.7
[M]+ 355.15265 185.2
[M]- 355.15375 185.2
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.