CID 10379170

Chloro(dihydroxy)[?]one

Structural Information

Molecular Formula
C10H9ClN4O4
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C=C(C3=O)Cl)N=NN41)O)O
InChI
InChI=1S/C10H9ClN4O4/c11-3-1-4-8-14(13-12-4)2-5-6(16)7(17)10(19-5)15(8)9(3)18/h1,5-7,10,16-17H,2H2/t5-,6-,7-,10-/m1/s1
InChIKey
SXYBEOZUKQPSJZ-DAGMQNCNSA-N
Compound name
(9R,10R,11S,12R)-6-chloro-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

284.03122 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.03850 158.3
[M+Na]+ 307.02044 172.4
[M-H]- 283.02394 159.3
[M+NH4]+ 302.06504 174.7
[M+K]+ 322.99438 171.0
[M+H-H2O]+ 267.02848 151.2
[M+HCOO]- 329.02942 167.8
[M+CH3COO]- 343.04507 170.0
[M+Na-2H]- 305.00589 162.7
[M]+ 284.03067 162.5
[M]- 284.03177 162.5
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.