CID 7064095

N-{[5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]methyl}acetamide

Structural Information

Molecular Formula
C10H11N3O2S
SMILES
CC(=O)NCC1=CC=C(O1)C2=CSC(=N2)N
InChI
InChI=1S/C10H11N3O2S/c1-6(14)12-4-7-2-3-9(15-7)8-5-16-10(11)13-8/h2-3,5H,4H2,1H3,(H2,11,13)(H,12,14)
InChIKey
HMOORGLQDZENJJ-UHFFFAOYSA-N
Compound name
N-[[5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

237.0572 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06448 150.9
[M+Na]+ 260.04642 160.7
[M-H]- 236.04992 158.3
[M+NH4]+ 255.09102 169.7
[M+K]+ 276.02036 158.6
[M+H-H2O]+ 220.05446 144.3
[M+HCOO]- 282.05540 173.4
[M+CH3COO]- 296.07105 191.3
[M+Na-2H]- 258.03187 152.2
[M]+ 237.05665 154.9
[M]- 237.05775 154.9
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