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]+ 251.048486 155.1
[M+Na]+ 273.030428 165.6
[M-H]- 249.033934 163.2
[M+NH4]+ 268.075033 173.6
[M+K]+ 289.004368 159.1
[M+H-H2O]+ 233.038470 153.8
[M+HCOO]- 295.039411 177.6
[M+CH3COO]- 309.055061 184.8
[M+Na-2H]- 271.015876 157.9
[M]+ 250.04066142 159.4
[M]- 250.04175858 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.