CID 1160495

769142-97-4

Structural Information

Molecular Formula
C19H12N2OS
SMILES
C1C(=CC2=CC=CC=C2O1)/C=C(/C#N)\C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C19H12N2OS/c20-11-15(19-21-16-6-2-4-8-18(16)23-19)10-13-9-14-5-1-3-7-17(14)22-12-13/h1-10H,12H2/b15-10-
InChIKey
NISPOKIPCWIZIX-GDNBJRDFSA-N
Compound name
(Z)-2-(1,3-benzothiazol-2-yl)-3-(2H-chromen-3-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.06705 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.07433 172.5
[M+Na]+ 339.05627 187.7
[M+NH4]+ 334.10087 178.8
[M+K]+ 355.03021 175.4
[M-H]- 315.05977 171.4
[M+Na-2H]- 337.04172 177.5
[M]+ 316.06650 174.2
[M]- 316.06760 174.2
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

No patent data available for this compound.