CID 3064511

Brn 5642173

Structural Information

Molecular Formula
C22H15ClN2O2S
SMILES
CC1=CC2=C(C=C1Cl)C(=O)C(=C(O2)C)C3=CSC4=NC(=CN34)C5=CC=CC=C5
InChI
InChI=1S/C22H15ClN2O2S/c1-12-8-19-15(9-16(12)23)21(26)20(13(2)27-19)18-11-28-22-24-17(10-25(18)22)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKey
UNWYTGHECRVZOU-UHFFFAOYSA-N
Compound name
6-chloro-2,7-dimethyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.0543 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.06158 197.5
[M+Na]+ 429.04352 214.4
[M-H]- 405.04702 210.3
[M+NH4]+ 424.08812 212.7
[M+K]+ 445.01746 207.2
[M+H-H2O]+ 389.05156 190.7
[M+HCOO]- 451.05250 212.1
[M+CH3COO]- 465.06815 210.5
[M+Na-2H]- 427.02897 197.1
[M]+ 406.05375 210.0
[M]- 406.05485 210.0
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.