CID 449003

2-amino-4-fluoro-5-[(1-methyl-1h-imidazol-2-yl)sulfanyl]-n-(1,3-thiazol-2-yl)benzamide

Structural Information

Molecular Formula
C14H12FN5OS2
SMILES
CN1C=CN=C1SC2=C(C=C(C(=C2)C(=O)NC3=NC=CS3)N)F
InChI
InChI=1S/C14H12FN5OS2/c1-20-4-2-18-14(20)23-11-6-8(10(16)7-9(11)15)12(21)19-13-17-3-5-22-13/h2-7H,16H2,1H3,(H,17,19,21)
InChIKey
YUCYMQBDBXVNCE-UHFFFAOYSA-N
Compound name
2-amino-4-fluoro-5-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

39
Patents

349.04672 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.05400 172.9
[M+Na]+ 372.03594 185.0
[M-H]- 348.03944 179.5
[M+NH4]+ 367.08054 186.6
[M+K]+ 388.00988 177.9
[M+H-H2O]+ 332.04398 164.8
[M+HCOO]- 394.04492 187.5
[M+CH3COO]- 408.06057 184.2
[M+Na-2H]- 370.02139 170.8
[M]+ 349.04617 176.3
[M]- 349.04727 176.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe