CID 5378081

2-(p-dimethylaminostyryl)benzothiazole

Structural Information

Molecular Formula
C17H16N2S
SMILES
CN(C)C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C17H16N2S/c1-19(2)14-10-7-13(8-11-14)9-12-17-18-15-5-3-4-6-16(15)20-17/h3-12H,1-2H3/b12-9+
InChIKey
MVMOMSLTZMMLJR-FMIVXFBMSA-N
Compound name
4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

11
References

969
Patents

280.10342 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11070 163.3
[M+Na]+ 303.09264 178.6
[M+NH4]+ 298.13724 173.5
[M+K]+ 319.06658 169.0
[M-H]- 279.09614 169.5
[M+Na-2H]- 301.07809 172.9
[M]+ 280.10287 167.9
[M]- 280.10397 167.9
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

patents stripe