CID 3778578

380442-28-4

Structural Information

Molecular Formula
C13H11N3OS
SMILES
CC1=C(N2C=CSC2=N1)C(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C13H11N3OS/c1-8-11(16-6-7-18-13(16)15-8)12(17)9-2-4-10(14)5-3-9/h2-7H,14H2,1H3
InChIKey
OTACDDKNNYWJLB-UHFFFAOYSA-N
Compound name
(4-aminophenyl)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0623 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.06958 156.2
[M+Na]+ 280.05152 168.2
[M-H]- 256.05502 163.0
[M+NH4]+ 275.09612 175.9
[M+K]+ 296.02546 163.5
[M+H-H2O]+ 240.05956 149.8
[M+HCOO]- 302.06050 176.3
[M+CH3COO]- 316.07615 169.8
[M+Na-2H]- 278.03697 156.9
[M]+ 257.06175 160.4
[M]- 257.06285 160.4
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.