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
5
Annotation Hits

10
References

1038
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 164.1
[M+Na]+ 303.09264 174.2
[M-H]- 279.09614 172.6
[M+NH4]+ 298.13724 183.0
[M+K]+ 319.06658 168.7
[M+H-H2O]+ 263.10068 156.4
[M+HCOO]- 325.10162 185.1
[M+CH3COO]- 339.11727 177.2
[M+Na-2H]- 301.07809 167.5
[M]+ 280.10287 168.9
[M]- 280.10397 168.9
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