CID 384659

Nsc674704

Structural Information

Molecular Formula
C19H19NO2S2
SMILES
CC(=CC(CC1=CC=CC=C1)S(=O)(=O)C2=NC3=CC=CC=C3S2)C
InChI
InChI=1S/C19H19NO2S2/c1-14(2)12-16(13-15-8-4-3-5-9-15)24(21,22)19-20-17-10-6-7-11-18(17)23-19/h3-12,16H,13H2,1-2H3
InChIKey
WLJOHDSGEBQULH-UHFFFAOYSA-N
Compound name
2-(4-methyl-1-phenylpent-3-en-2-yl)sulfonyl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.08572 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.09300 184.6
[M+Na]+ 380.07494 193.6
[M-H]- 356.07844 190.9
[M+NH4]+ 375.11954 199.7
[M+K]+ 396.04888 186.9
[M+H-H2O]+ 340.08298 178.0
[M+HCOO]- 402.08392 195.2
[M+CH3COO]- 416.09957 208.9
[M+Na-2H]- 378.06039 185.2
[M]+ 357.08517 189.8
[M]- 357.08627 189.8
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.