CID 9592522

N'-(4-butoxybenzylidene)-4-methylbenzenesulfonohydrazide

Structural Information

Molecular Formula
C18H22N2O3S
SMILES
CCCCOC1=CC=C(C=C1)/C=N/NS(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C18H22N2O3S/c1-3-4-13-23-17-9-7-16(8-10-17)14-19-20-24(21,22)18-11-5-15(2)6-12-18/h5-12,14,20H,3-4,13H2,1-2H3/b19-14+
InChIKey
JUJQCSZKMHUDES-XMHGGMMESA-N
Compound name
N-[(E)-(4-butoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.1351 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14238 181.1
[M+Na]+ 369.12432 187.4
[M-H]- 345.12782 188.7
[M+NH4]+ 364.16892 194.7
[M+K]+ 385.09826 182.6
[M+H-H2O]+ 329.13236 172.1
[M+HCOO]- 391.13330 201.9
[M+CH3COO]- 405.14895 216.0
[M+Na-2H]- 367.10977 185.1
[M]+ 346.13455 186.3
[M]- 346.13565 186.3
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.