CID 44398907

863479-04-3

Structural Information

Molecular Formula
C18H16N2O2S
SMILES
COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C4=C(C3)SC(=N4)N)OC
InChI
InChI=1S/C18H16N2O2S/c1-21-14-6-4-11(8-15(14)22-2)10-3-5-13-12(7-10)9-16-17(13)20-18(19)23-16/h3-8H,9H2,1-2H3,(H2,19,20)
InChIKey
VVHPWWQMZPMVNX-UHFFFAOYSA-N
Compound name
6-(3,4-dimethoxyphenyl)-4H-indeno[1,2-d][1,3]thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

324.09326 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10054 173.6
[M+Na]+ 347.08248 187.2
[M+NH4]+ 342.12708 183.3
[M+K]+ 363.05642 181.1
[M-H]- 323.08598 178.9
[M+Na-2H]- 345.06793 179.5
[M]+ 324.09271 177.6
[M]- 324.09381 177.6
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

No patent data available for this compound.