CID 178064

Gk-128

Structural Information

Molecular Formula
C18H14N2OS
SMILES
CC1=NC=CN1CC2=CSC3=C(C2=O)C4=CC=CC=C4C=C3
InChI
InChI=1S/C18H14N2OS/c1-12-19-8-9-20(12)10-14-11-22-16-7-6-13-4-2-3-5-15(13)17(16)18(14)21/h2-9,11H,10H2,1H3
InChIKey
OCIJPMWDLRFFCA-UHFFFAOYSA-N
Compound name
2-[(2-methylimidazol-1-yl)methyl]benzo[f]thiochromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

306.08267 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08995 168.3
[M+Na]+ 329.07189 186.5
[M+NH4]+ 324.11649 178.4
[M+K]+ 345.04583 176.3
[M-H]- 305.07539 174.0
[M+Na-2H]- 327.05734 177.6
[M]+ 306.08212 173.3
[M]- 306.08322 173.3
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

patents stripe