CID 6445706

Thiazole, 4,5-dimethyl-2-(2-(5-nitrofuryl)vinyl)-, 3-oxide

Structural Information

Molecular Formula
C11H10N2O4S
SMILES
CC1=C(SC(=[N+]1[O-])/C=C/C2=CC=C(O2)[N+](=O)[O-])C
InChI
InChI=1S/C11H10N2O4S/c1-7-8(2)18-11(12(7)14)6-4-9-3-5-10(17-9)13(15)16/h3-6H,1-2H3/b6-4+
InChIKey
VIBZLCFBPDDNON-GQCTYLIASA-N
Compound name
4,5-dimethyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-oxido-1,3-thiazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.03613 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.043406 163.9
[M+Na]+ 289.025348 173.3
[M-H]- 265.028854 170.5
[M+NH4]+ 284.069953 179.9
[M+K]+ 304.999288 161.7
[M+H-H2O]+ 249.033390 166.9
[M+HCOO]- 311.034331 184.5
[M+CH3COO]- 325.049981 179.8
[M+Na-2H]- 287.010796 167.7
[M]+ 266.03558142 164.8
[M]- 266.03667858 164.8
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