CID 16954

Thioflavin t

Structural Information

Molecular Formula
C17H19N2S
SMILES
CC1=CC2=C(C=C1)[N+](=C(S2)C3=CC=C(C=C3)N(C)C)C
InChI
InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1
InChIKey
FXEKRIDRIFBJOR-UHFFFAOYSA-N
Compound name
4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2390
References

22341
Patents

283.1269 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13418 160.9
[M+Na]+ 306.11612 178.9
[M+NH4]+ 301.16072 172.6
[M+K]+ 322.09006 170.5
[M-H]- 282.11962 169.3
[M+Na-2H]- 304.10157 171.4
[M]+ 283.12635 167.1
[M]- 283.12745 167.1
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