CID 10106897

Chembl372538

Structural Information

Molecular Formula
C10H11N5O4
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C(=O)C=C(C4=C3N1N=N4)N)O)O
InChI
InChI=1S/C10H11N5O4/c11-3-1-5(16)15-9-6(3)12-13-14(9)2-4-7(17)8(18)10(15)19-4/h1,4,7-8,10,17-18H,2,11H2/t4-,7-,8-,10-/m1/s1
InChIKey
TXTKKOYHEZOIEY-GUJHRGIASA-N
Compound name
(9R,10R,11S,12R)-5-amino-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

1
References

0
Patents

265.08112 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.08840 157.6
[M+Na]+ 288.07034 169.6
[M-H]- 264.07384 158.8
[M+NH4]+ 283.11494 173.4
[M+K]+ 304.04428 169.5
[M+H-H2O]+ 248.07838 150.5
[M+HCOO]- 310.07932 171.8
[M+CH3COO]- 324.09497 168.9
[M+Na-2H]- 286.05579 162.2
[M]+ 265.08057 158.9
[M]- 265.08167 158.9
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.