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]+ 258.069576 156.2
[M+Na]+ 280.051518 168.2
[M-H]- 256.055024 163.0
[M+NH4]+ 275.096123 175.9
[M+K]+ 296.025458 163.5
[M+H-H2O]+ 240.059560 149.8
[M+HCOO]- 302.060501 176.2
[M+CH3COO]- 316.076151 169.8
[M+Na-2H]- 278.036966 156.9
[M]+ 257.06175142 160.4
[M]- 257.06284858 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.