CID 6445705

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

Structural Information

Molecular Formula
C11H10N2O3S
SMILES
CC1=C(SC(=N1)/C=C/C2=CC=C(O2)[N+](=O)[O-])C
InChI
InChI=1S/C11H10N2O3S/c1-7-8(2)17-10(12-7)5-3-9-4-6-11(16-9)13(14)15/h3-6H,1-2H3/b5-3+
InChIKey
DSMQXJWEDLLWLC-HWKANZROSA-N
Compound name
4,5-dimethyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.04121 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04849 155.1
[M+Na]+ 273.03043 165.6
[M-H]- 249.03393 163.2
[M+NH4]+ 268.07503 173.6
[M+K]+ 289.00437 159.1
[M+H-H2O]+ 233.03847 153.8
[M+HCOO]- 295.03941 177.6
[M+CH3COO]- 309.05506 184.8
[M+Na-2H]- 271.01588 157.9
[M]+ 250.04066 159.4
[M]- 250.04176 159.4
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

No patent data available for this compound.