CID 45054515

4-(benzyloxy)-n'-(4-((4-chlorobenzyl)oxy)-3-ethoxybenzylidene)benzohydrazide

Structural Information

Molecular Formula
C30H27ClN2O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C30H27ClN2O4/c1-2-35-29-18-24(10-17-28(29)37-21-23-8-13-26(31)14-9-23)19-32-33-30(34)25-11-15-27(16-12-25)36-20-22-6-4-3-5-7-22/h3-19H,2,20-21H2,1H3,(H,33,34)/b32-19+
InChIKey
HPDLFUZPBGFJGR-BIZUNTBRSA-N
Compound name
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-phenylmethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.16595 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.17323 227.1
[M+Na]+ 537.15517 231.7
[M-H]- 513.15867 239.7
[M+NH4]+ 532.19977 232.9
[M+K]+ 553.12911 225.2
[M+H-H2O]+ 497.16321 214.2
[M+HCOO]- 559.16415 247.0
[M+CH3COO]- 573.17980 247.9
[M+Na-2H]- 535.14062 228.2
[M]+ 514.16540 233.8
[M]- 514.16650 233.8
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.