CID 5334654

N'-[4-(benzyloxy)benzylidene]-4-methylbenzenesulfonohydrazide

Structural Information

Molecular Formula
C21H20N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=CC=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C21H20N2O3S/c1-17-7-13-21(14-8-17)27(24,25)23-22-15-18-9-11-20(12-10-18)26-16-19-5-3-2-4-6-19/h2-15,23H,16H2,1H3/b22-15+
InChIKey
JSNIKQICXLOQAX-PXLXIMEGSA-N
Compound name
4-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.11948 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.12676 189.5
[M+Na]+ 403.10870 196.0
[M-H]- 379.11220 200.1
[M+NH4]+ 398.15330 201.1
[M+K]+ 419.08264 190.1
[M+H-H2O]+ 363.11674 179.4
[M+HCOO]- 425.11768 210.7
[M+CH3COO]- 439.13333 220.9
[M+Na-2H]- 401.09415 194.7
[M]+ 380.11893 193.0
[M]- 380.12003 193.0
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.