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 204.1
[M+Na]+ 456.15298 205.9
[M-H]- 432.15648 214.0
[M+NH4]+ 451.19758 211.3
[M+K]+ 472.12692 198.7
[M+H-H2O]+ 416.16102 196.7
[M+HCOO]- 478.16196 229.1
[M+CH3COO]- 492.17761 229.8
[M+Na-2H]- 454.13843 207.6
[M]+ 433.16321 205.1
[M]- 433.16431 205.1
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.