CID 45054877

4-butoxy-n'-(4-((4-chlorobenzyl)oxy)benzylidene)benzohydrazide

Structural Information

Molecular Formula
C25H25ClN2O3
SMILES
CCCCOC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C25H25ClN2O3/c1-2-3-16-30-23-14-8-21(9-15-23)25(29)28-27-17-19-6-12-24(13-7-19)31-18-20-4-10-22(26)11-5-20/h4-15,17H,2-3,16,18H2,1H3,(H,28,29)/b27-17+
InChIKey
GFZKQJWKJXTKLX-WPWMEQJKSA-N
Compound name
4-butoxy-N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.15536 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.16264 207.2
[M+Na]+ 459.14458 212.5
[M-H]- 435.14808 217.2
[M+NH4]+ 454.18918 217.0
[M+K]+ 475.11852 206.1
[M+H-H2O]+ 419.15262 196.5
[M+HCOO]- 481.15356 227.9
[M+CH3COO]- 495.16921 234.1
[M+Na-2H]- 457.13003 209.2
[M]+ 436.15481 213.4
[M]- 436.15591 213.4
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.