CID 51060190

2-(4-bromophenoxy)-n'-(4-((4-chlorobenzyl)oxy)benzylidene)propanohydrazide

Structural Information

Molecular Formula
C23H20BrClN2O3
SMILES
CC(C(=O)N/N=C/C1=CC=C(C=C1)OCC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Br
InChI
InChI=1S/C23H20BrClN2O3/c1-16(30-22-12-6-19(24)7-13-22)23(28)27-26-14-17-4-10-21(11-5-17)29-15-18-2-8-20(25)9-3-18/h2-14,16H,15H2,1H3,(H,27,28)/b26-14+
InChIKey
OLRCCUGOKGMGPK-VULFUBBASA-N
Compound name
2-(4-bromophenoxy)-N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.03458 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.04186 205.8
[M+Na]+ 509.02380 213.9
[M-H]- 485.02730 217.8
[M+NH4]+ 504.06840 217.4
[M+K]+ 524.99774 200.6
[M+H-H2O]+ 469.03184 201.7
[M+HCOO]- 531.03278 223.4
[M+CH3COO]- 545.04843 235.6
[M+Na-2H]- 507.00925 208.5
[M]+ 486.03403 228.7
[M]- 486.03513 228.7
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.