CID 113085

Thiazolo(5,4-d)thiazole, 2,5-bis(2-methoxyphenyl)-

Structural Information

Molecular Formula
C18H14N2O2S2
SMILES
COC1=CC=CC=C1C2=NC3=C(S2)N=C(S3)C4=CC=CC=C4OC
InChI
InChI=1S/C18H14N2O2S2/c1-21-13-9-5-3-7-11(13)15-19-17-18(23-15)20-16(24-17)12-8-4-6-10-14(12)22-2/h3-10H,1-2H3
InChIKey
CJCXSDJECXYLPM-UHFFFAOYSA-N
Compound name
2,5-bis(2-methoxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

354.04968 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.056956 179.4
[M+Na]+ 377.038898 193.2
[M-H]- 353.042404 189.8
[M+NH4]+ 372.083503 196.3
[M+K]+ 393.012838 187.1
[M+H-H2O]+ 337.046940 173.3
[M+HCOO]- 399.047881 195.1
[M+CH3COO]- 413.063531 192.3
[M+Na-2H]- 375.024346 178.9
[M]+ 354.04913142 188.7
[M]- 354.05022858 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

No literature data available for this compound.

Patent stripe

patents stripe