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 199.9
[M+Na]+ 448.98888 217.3
[M-H]- 424.99238 212.0
[M+NH4]+ 444.03348 214.8
[M+K]+ 464.96282 209.9
[M+H-H2O]+ 408.99692 193.4
[M+HCOO]- 470.99786 209.7
[M+CH3COO]- 485.01351 212.5
[M+Na-2H]- 446.97433 199.2
[M]+ 425.99911 213.3
[M]- 426.00021 213.3
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.