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]+ 356.160476 184.3
[M+Na]+ 378.142418 188.1
[M-H]- 354.145924 191.9
[M+NH4]+ 373.187023 195.9
[M+K]+ 394.116358 181.5
[M+H-H2O]+ 338.150460 179.3
[M+HCOO]- 400.151401 210.0
[M+CH3COO]- 414.167051 216.7
[M+Na-2H]- 376.127866 187.7
[M]+ 355.15265142 185.2
[M]- 355.15374858 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.