CID 38052

2-amino-4-(5-nitro-2-furyl)thiazole

Structural Information

Molecular Formula
C7H5N3O3S
SMILES
C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)N
InChI
InChI=1S/C7H5N3O3S/c8-7-9-4(3-14-7)5-1-2-6(13-5)10(11)12/h1-3H,(H2,8,9)
InChIKey
ZAVLMIGIVYJYMU-UHFFFAOYSA-N
Compound name
4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

32
References

39
Patents

211.00516 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.01244 139.3
[M+Na]+ 233.99438 149.2
[M-H]- 209.99788 146.9
[M+NH4]+ 229.03898 158.3
[M+K]+ 249.96832 143.6
[M+H-H2O]+ 194.00242 137.6
[M+HCOO]- 256.00336 163.3
[M+CH3COO]- 270.01901 177.3
[M+Na-2H]- 231.97983 144.7
[M]+ 211.00461 140.8
[M]- 211.00571 140.8
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