CID 9635508

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

Structural Information

Molecular Formula
C23H20ClN3O5
SMILES
CC(C(=O)N/N=C/C1=CC=C(C=C1)OCC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C23H20ClN3O5/c1-16(32-22-12-8-20(9-13-22)27(29)30)23(28)26-25-14-17-4-10-21(11-5-17)31-15-18-2-6-19(24)7-3-18/h2-14,16H,15H2,1H3,(H,26,28)/b25-14+
InChIKey
ASTIMLHIGANNLU-AFUMVMLFSA-N
Compound name
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenoxy)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.10916 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.11644 207.5
[M+Na]+ 476.09838 210.3
[M-H]- 452.10188 217.2
[M+NH4]+ 471.14298 214.9
[M+K]+ 492.07232 202.0
[M+H-H2O]+ 436.10642 201.3
[M+HCOO]- 498.10736 228.4
[M+CH3COO]- 512.12301 230.2
[M+Na-2H]- 474.08383 210.9
[M]+ 453.10861 210.9
[M]- 453.10971 210.9
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.