CID 9613474

1-hexadecanesulfonic acid (3-methyl-2-benzothiazolinylidene)hydrazide

Structural Information

Molecular Formula
C24H41N3O2S2
SMILES
CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C\1/N(C2=CC=CC=C2S1)C
InChI
InChI=1S/C24H41N3O2S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-31(28,29)26-25-24-27(2)22-19-16-17-20-23(22)30-24/h16-17,19-20,26H,3-15,18,21H2,1-2H3/b25-24-
InChIKey
XQCPNJBWNPFFDB-IZHYLOQSSA-N
Compound name
N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]hexadecane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.264 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.27128 214.7
[M+Na]+ 490.25322 219.5
[M-H]- 466.25672 217.1
[M+NH4]+ 485.29782 225.9
[M+K]+ 506.22716 211.5
[M+H-H2O]+ 450.26126 206.0
[M+HCOO]- 512.26220 227.1
[M+CH3COO]- 526.27785 239.1
[M+Na-2H]- 488.23867 214.2
[M]+ 467.26345 225.5
[M]- 467.26455 225.5
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.