CID 23274680

Brn 5390469

Structural Information

Molecular Formula
C8H10N4O3S2
SMILES
C1CS/C(=N/C2=NC=C(S2)[N+](=O)[O-])/N1CCO
InChI
InChI=1S/C8H10N4O3S2/c13-3-1-11-2-4-16-8(11)10-7-9-5-6(17-7)12(14)15/h5,13H,1-4H2/b10-8+
InChIKey
WFGZMQNAHMBGCI-CSKARUKUSA-N
Compound name
2-[(2E)-2-[(5-nitro-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-3-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.01944 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.02672 156.0
[M+Na]+ 297.00866 162.9
[M-H]- 273.01216 160.6
[M+NH4]+ 292.05326 172.6
[M+K]+ 312.98260 155.4
[M+H-H2O]+ 257.01670 153.6
[M+HCOO]- 319.01764 170.2
[M+CH3COO]- 333.03329 187.7
[M+Na-2H]- 294.99411 157.2
[M]+ 274.01889 154.4
[M]- 274.01999 154.4
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.