CID 3006618

2-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-2h-[1,2,4]triazine-3,5-dithione

Structural Information

Molecular Formula
C8H11N3O4S2
SMILES
C1=NN(C(=S)NC1=S)[C@H]2C(C([C@H](O2)CO)O)O
InChI
InChI=1S/C8H11N3O4S2/c12-2-3-5(13)6(14)7(15-3)11-8(17)10-4(16)1-9-11/h1,3,5-7,12-14H,2H2,(H,10,16,17)/t3-,5?,6?,7-/m1/s1
InChIKey
BOWSYYPUOIVENV-QNKHKLGJSA-N
Compound name
2-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0191 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.02638 156.0
[M+Na]+ 300.00832 166.3
[M-H]- 276.01182 155.1
[M+NH4]+ 295.05292 167.3
[M+K]+ 315.98226 159.9
[M+H-H2O]+ 260.01636 150.8
[M+HCOO]- 322.01730 160.5
[M+CH3COO]- 336.03295 185.3
[M+Na-2H]- 297.99377 153.2
[M]+ 277.01855 155.2
[M]- 277.01965 155.2
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.