CID 3013086

Chembl199168

Structural Information

Molecular Formula
C10H10N4O4
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C(=O)C=CC4=C3N1N=N4)O)O
InChI
InChI=1S/C10H10N4O4/c15-6-2-1-4-9-13(12-11-4)3-5-7(16)8(17)10(18-5)14(6)9/h1-2,5,7-8,10,16-17H,3H2/t5-,7-,8-,10-/m1/s1
InChIKey
SCEZPDIUCBIIHQ-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-trien-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

250.0702 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.07748 151.7
[M+Na]+ 273.05942 163.8
[M-H]- 249.06292 152.8
[M+NH4]+ 268.10402 168.3
[M+K]+ 289.03336 163.4
[M+H-H2O]+ 233.06746 144.9
[M+HCOO]- 295.06840 165.6
[M+CH3COO]- 309.08405 163.5
[M+Na-2H]- 271.04487 157.2
[M]+ 250.06965 154.0
[M]- 250.07075 154.0
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.