CID 6474350

2-(1-hydroxyoctadec-9-enyl)benzo[d]1,3,2-dithiazoline, 1-oxide

Structural Information

Molecular Formula
C24H39NO2S2
SMILES
CCCCCCCC/C=C/CCCCCCCC(N1SC2=CC=CC=C2S1=O)O
InChI
InChI=1S/C24H39NO2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(26)25-28-22-19-17-18-20-23(22)29(25)27/h9-10,17-20,24,26H,2-8,11-16,21H2,1H3/b10-9+
InChIKey
JZOWGYZSHWVKQG-MDZDMXLPSA-N
Compound name
(E)-1-(1-oxo-1lambda4,3,2-benzodithiazol-2-yl)octadec-9-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

437.24222 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.24950 206.7
[M+Na]+ 460.23144 209.8
[M-H]- 436.23494 205.8
[M+NH4]+ 455.27604 218.2
[M+K]+ 476.20538 201.6
[M+H-H2O]+ 420.23948 199.4
[M+HCOO]- 482.24042 212.0
[M+CH3COO]- 496.25607 226.1
[M+Na-2H]- 458.21689 200.4
[M]+ 437.24167 213.6
[M]- 437.24277 213.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.