CID 5926815

Nsc657435

Structural Information

Molecular Formula
C19H14NO3S2
SMILES
COC1=CC=CC(=C1O)/C=C\2/C(=O)[N+]3=C(S2)SC=C3C4=CC=CC=C4
InChI
InChI=1S/C19H13NO3S2/c1-23-15-9-5-8-13(17(15)21)10-16-18(22)20-14(11-24-19(20)25-16)12-6-3-2-4-7-12/h2-11H,1H3/p+1
InChIKey
OXPGRKNSXKKKRK-UHFFFAOYSA-O
Compound name
(6Z)-6-[(2-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.0415 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.04878 185.9
[M+Na]+ 391.03072 196.8
[M-H]- 367.03422 195.6
[M+NH4]+ 386.07532 202.0
[M+K]+ 407.00466 184.5
[M+H-H2O]+ 351.03876 183.2
[M+HCOO]- 413.03970 198.1
[M+CH3COO]- 427.05535 202.0
[M+Na-2H]- 389.01617 185.4
[M]+ 368.04095 189.2
[M]- 368.04205 189.2
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.