CID 3064509

Brn 5643668

Structural Information

Molecular Formula
C21H12Cl2N2O2S
SMILES
CC1=C(C(=O)C2=C(O1)C=CC(=C2)Cl)C3=CSC4=NC(=CN34)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C21H12Cl2N2O2S/c1-11-19(20(26)15-8-14(23)6-7-18(15)27-11)17-10-28-21-24-16(9-25(17)21)12-2-4-13(22)5-3-12/h2-10H,1H3
InChIKey
NQZTZEVWZXQNEZ-UHFFFAOYSA-N
Compound name
6-chloro-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.99966 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.00694 197.2
[M+Na]+ 448.98888 218.7
[M+NH4]+ 444.03348 207.2
[M+K]+ 464.96282 209.0
[M-H]- 424.99238 205.8
[M+Na-2H]- 446.97433 206.4
[M]+ 425.99911 204.3
[M]- 426.00021 204.3
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.