CID 135685449

N'-(4-hydroxy-3-methoxybenzylidene)-2-(4-nitrophenoxy)propanohydrazide

Structural Information

Molecular Formula
C17H17N3O6
SMILES
CC(C(=O)N/N=C/C1=CC(=C(C=C1)O)OC)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H17N3O6/c1-11(26-14-6-4-13(5-7-14)20(23)24)17(22)19-18-10-12-3-8-15(21)16(9-12)25-2/h3-11,21H,1-2H3,(H,19,22)/b18-10+
InChIKey
FHYJSXHLBJCHNI-VCHYOVAHSA-N
Compound name
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.11172 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.11900 179.4
[M+Na]+ 382.10094 183.1
[M-H]- 358.10444 186.0
[M+NH4]+ 377.14554 189.9
[M+K]+ 398.07488 177.5
[M+H-H2O]+ 342.10898 174.6
[M+HCOO]- 404.10992 204.7
[M+CH3COO]- 418.12557 212.6
[M+Na-2H]- 380.08639 184.1
[M]+ 359.11117 180.5
[M]- 359.11227 180.5
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.