CID 1069448

74008-14-3

Structural Information

Molecular Formula
C18H14N2O2S2
SMILES
COC1=CC=C(C=C1)C2=NC3=C(S2)N=C(S3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C18H14N2O2S2/c1-21-13-7-3-11(4-8-13)15-19-17-18(23-15)20-16(24-17)12-5-9-14(22-2)10-6-12/h3-10H,1-2H3
InChIKey
VAFUTAPLEGLTOX-UHFFFAOYSA-N
Compound name
2,5-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

354.04968 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.05696 179.4
[M+Na]+ 377.03890 193.2
[M-H]- 353.04240 189.8
[M+NH4]+ 372.08350 196.3
[M+K]+ 393.01284 187.1
[M+H-H2O]+ 337.04694 173.3
[M+HCOO]- 399.04788 195.1
[M+CH3COO]- 413.06353 192.3
[M+Na-2H]- 375.02435 178.9
[M]+ 354.04913 188.7
[M]- 354.05023 188.7
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