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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.054636	157.0
[M+Na]+	289.036578	169.4
[M-H]-	265.040084	158.0
[M+NH4]+	284.081183	173.8
[M+K]+	305.010518	168.7
[M+H-H2O]+	249.044620	151.5
[M+HCOO]-	311.045561	166.4
[M+CH3COO]-	325.061211	168.4
[M+Na-2H]-	287.022026	159.8
[M]+	266.04681142	160.5
[M]-	266.04790858	160.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.