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]+ 360.118996 179.4
[M+Na]+ 382.100938 183.1
[M-H]- 358.104444 186.0
[M+NH4]+ 377.145543 189.9
[M+K]+ 398.074878 177.5
[M+H-H2O]+ 342.108980 174.6
[M+HCOO]- 404.109921 204.7
[M+CH3COO]- 418.125571 212.6
[M+Na-2H]- 380.086386 184.1
[M]+ 359.11117142 180.5
[M]- 359.11226858 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.