CID 45055112

N'-(4-((4-cl-benzyl)oxy)-3-ethoxybenzylidene)-2-(2-nitrophenoxy)propanohydrazide

Structural Information

Molecular Formula
C25H24ClN3O6
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(C)OC2=CC=CC=C2[N+](=O)[O-])OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C25H24ClN3O6/c1-3-33-24-14-19(10-13-23(24)34-16-18-8-11-20(26)12-9-18)15-27-28-25(30)17(2)35-22-7-5-4-6-21(22)29(31)32/h4-15,17H,3,16H2,1-2H3,(H,28,30)/b27-15+
InChIKey
OBRDKRMNTRANNM-JFLMPSFJSA-N
Compound name
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(2-nitrophenoxy)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.13538 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.14266 219.3
[M+Na]+ 520.12460 221.8
[M-H]- 496.12810 229.1
[M+NH4]+ 515.16920 225.0
[M+K]+ 536.09854 214.0
[M+H-H2O]+ 480.13264 212.6
[M+HCOO]- 542.13358 239.7
[M+CH3COO]- 556.14923 239.3
[M+Na-2H]- 518.11005 221.4
[M]+ 497.13483 225.1
[M]- 497.13593 225.1
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.