CID 1230233

307525-46-8

Structural Information

Molecular Formula
C18H11BrN2O3S2
SMILES
COC1=CC=C(C=C1)N2C(=C(SC2=S)C3=C4C=C(C=CC4=NC3=O)Br)O
InChI
InChI=1S/C18H11BrN2O3S2/c1-24-11-5-3-10(4-6-11)21-17(23)15(26-18(21)25)14-12-8-9(19)2-7-13(12)20-16(14)22/h2-8,23H,1H3
InChIKey
HVZFAOWBUPTKQL-UHFFFAOYSA-N
Compound name
5-bromo-3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.93945 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.94673 178.8
[M+Na]+ 468.92867 196.9
[M-H]- 444.93217 191.1
[M+NH4]+ 463.97327 195.9
[M+K]+ 484.90261 183.0
[M+H-H2O]+ 428.93671 180.9
[M+HCOO]- 490.93765 191.8
[M+CH3COO]- 504.95330 193.5
[M+Na-2H]- 466.91412 179.5
[M]+ 445.93890 205.5
[M]- 445.94000 205.5
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.