CID 164946942

Rm28

Structural Information

Molecular Formula
C20H23N2OS
SMILES
CC[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(C)CCO
InChI
InChI=1S/C20H23N2OS/c1-3-22-18-6-4-5-7-19(18)24-20(22)13-10-16-8-11-17(12-9-16)21(2)14-15-23/h4-13,23H,3,14-15H2,1-2H3/q+1
InChIKey
WYMSMYQUZYTOSZ-UHFFFAOYSA-N
Compound name
2-[4-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-methylanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1531 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.16038 177.2
[M+Na]+ 362.14232 193.1
[M+NH4]+ 357.18692 187.1
[M+K]+ 378.11626 184.6
[M-H]- 338.14582 184.1
[M+Na-2H]- 360.12777 186.0
[M]+ 339.15255 182.4
[M]- 339.15365 182.4
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.