4-((4-chlorobenzyl)oxy)-n'-(4-((4-methylbenzyl)oxy)benzylidene)benzohydrazide (C29H25ClN2O3)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H25ClN2O3/c1-21-2-4-23(5-3-21)19-34-27-14-8-22(9-15-27)18-31-32-29(33)25-10-16-28(17-11-25)35-20-24-6-12-26(30)13-7-24/h2-18H,19-20H2,1H3,(H,32,33)/b31-18+

InChIKey

DZXJMBHNWHQJOD-FDAWAROLSA-N

Compound name

4-[(4-chlorophenyl)methoxy]-N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	485.162636	220.5
[M+Na]+	507.144578	225.9
[M-H]-	483.148084	233.3
[M+NH4]+	502.189183	227.7
[M+K]+	523.118518	218.7
[M+H-H2O]+	467.152620	208.0
[M+HCOO]-	529.153561	240.6
[M+CH3COO]-	543.169211	243.0
[M+Na-2H]-	505.130026	221.9
[M]+	484.15481142	225.6
[M]-	484.15590858	225.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.162636

220.5

[M+Na]+

507.144578

225.9

[M-H]-

483.148084

233.3

[M+NH4]+

502.189183

227.7

[M+K]+

523.118518

218.7

[M+H-H2O]+

467.152620

208.0

[M+HCOO]-

529.153561

240.6

[M+CH3COO]-

543.169211

243.0

[M+Na-2H]-

505.130026

221.9

[M]+

484.15481142

225.6

[M]-

484.15590858

225.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe