CID 3064508

Brn 5634457

Structural Information

Molecular Formula
C21H13ClN2O2S
SMILES
CC1=C(C(=O)C2=C(O1)C=CC(=C2)Cl)C3=CSC4=NC(=CN34)C5=CC=CC=C5
InChI
InChI=1S/C21H13ClN2O2S/c1-12-19(20(25)15-9-14(22)7-8-18(15)26-12)17-11-27-21-23-16(10-24(17)21)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey
OGFCWEKDPGAFHW-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-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

392.03864 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.04592 192.3
[M+Na]+ 415.02786 208.9
[M-H]- 391.03136 205.0
[M+NH4]+ 410.07246 207.8
[M+K]+ 431.00180 201.9
[M+H-H2O]+ 375.03590 185.5
[M+HCOO]- 437.03684 207.3
[M+CH3COO]- 451.05249 205.5
[M+Na-2H]- 413.01331 193.2
[M]+ 392.03809 204.1
[M]- 392.03919 204.1
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.