CID 10333126

Dihydroxy[?]thione

Structural Information

Molecular Formula
C10H10N4O3S
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C(=S)C=CC4=C3N1N=N4)O)O
InChI
InChI=1S/C10H10N4O3S/c15-7-5-3-13-9-4(11-12-13)1-2-6(18)14(9)10(17-5)8(7)16/h1-2,5,7-8,10,15-16H,3H2/t5-,7-,8-,10-/m1/s1
InChIKey
IVYSNHAFZBQCCE-VPCXQMTMSA-N
Compound name
(9R,10R,11S,12R)-10,11-dihydroxy-15-oxa-1,2,3,8-tetrazatetracyclo[6.5.1.19,12.04,14]pentadeca-2,4(14),5-triene-7-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.04736 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.05464 157.0
[M+Na]+ 289.03658 169.4
[M-H]- 265.04008 158.0
[M+NH4]+ 284.08118 173.8
[M+K]+ 305.01052 168.7
[M+H-H2O]+ 249.04462 151.5
[M+HCOO]- 311.04556 166.4
[M+CH3COO]- 325.06121 168.4
[M+Na-2H]- 287.02203 159.8
[M]+ 266.04681 160.5
[M]- 266.04791 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.