CID 5165747

5-bromo-n-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide

Structural Information

Molecular Formula
C9H7BrN2O2S
SMILES
CC1=CN=C(S1)NC(=O)C2=CC=C(O2)Br
InChI
InChI=1S/C9H7BrN2O2S/c1-5-4-11-9(15-5)12-8(13)6-2-3-7(10)14-6/h2-4H,1H3,(H,11,12,13)
InChIKey
PEZPKRCSYQLBMP-UHFFFAOYSA-N
Compound name
5-bromo-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

285.94116 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.94844 148.2
[M+Na]+ 308.93038 162.8
[M-H]- 284.93388 158.8
[M+NH4]+ 303.97498 169.5
[M+K]+ 324.90432 152.8
[M+H-H2O]+ 268.93842 148.4
[M+HCOO]- 330.93936 168.6
[M+CH3COO]- 344.95501 193.6
[M+Na-2H]- 306.91583 152.1
[M]+ 285.94061 171.9
[M]- 285.94171 171.9
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

patents stripe