CID 6438227

T-ran-methylol

Structural Information

Molecular Formula
C10H10N4O5S
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=C/C2=NN=C(S2)N(CO)CO
InChI
InChI=1S/C10H10N4O5S/c15-5-13(6-16)10-12-11-8(20-10)3-1-7-2-4-9(19-7)14(17)18/h1-4,15-16H,5-6H2/b3-1+
InChIKey
AUXWAUPYJNZQGP-HNQUOIGGSA-N
Compound name
[hydroxymethyl-[5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]amino]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.04448 161.6
[M+Na]+ 321.02642 168.9
[M-H]- 297.02992 166.8
[M+NH4]+ 316.07102 174.8
[M+K]+ 337.00036 163.0
[M+H-H2O]+ 281.03446 158.6
[M+HCOO]- 343.03540 182.0
[M+CH3COO]- 357.05105 190.5
[M+Na-2H]- 319.01187 165.9
[M]+ 298.03665 164.7
[M]- 298.03775 164.7
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.