CID 51060235

N'-(4-((4-methylbenzyl)oxy)benzylidene)-2-(2-nitrophenoxy)propanohydrazide

Structural Information

Molecular Formula
C24H23N3O5
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)C(C)OC3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C24H23N3O5/c1-17-7-9-20(10-8-17)16-31-21-13-11-19(12-14-21)15-25-26-24(28)18(2)32-23-6-4-3-5-22(23)27(29)30/h3-15,18H,16H2,1-2H3,(H,26,28)/b25-15+
InChIKey
CIBDCGNZJMNEEH-MFKUBSTISA-N
Compound name
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.16376 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.17104 203.4
[M+Na]+ 456.15298 216.4
[M+NH4]+ 451.19758 209.0
[M+K]+ 472.12692 211.6
[M-H]- 432.15648 211.1
[M+Na-2H]- 454.13843 212.3
[M]+ 433.16321 207.2
[M]- 433.16431 207.2
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.