CID 6445706

Brn 1007514

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

1
Patents

266.03613 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.04341 163.9
[M+Na]+ 289.02535 173.3
[M-H]- 265.02885 170.5
[M+NH4]+ 284.06995 179.9
[M+K]+ 304.99929 161.7
[M+H-H2O]+ 249.03339 166.9
[M+HCOO]- 311.03433 184.5
[M+CH3COO]- 325.04998 179.8
[M+Na-2H]- 287.01080 167.7
[M]+ 266.03558 164.8
[M]- 266.03668 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