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 174.1
[M+Na]+ 347.08248 185.7
[M-H]- 323.08598 182.7
[M+NH4]+ 342.12708 193.7
[M+K]+ 363.05642 180.5
[M+H-H2O]+ 307.09052 168.2
[M+HCOO]- 369.09146 193.2
[M+CH3COO]- 383.10711 186.9
[M+Na-2H]- 345.06793 174.6
[M]+ 324.09271 180.6
[M]- 324.09381 180.6
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.