CID 168045

22423-26-3

Structural Information

Molecular Formula
C10H12N2O5
SMILES
CC1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O
InChI
InChI=1S/C10H12N2O5/c1-4-2-12-9-7(6(14)5(3-13)16-9)17-10(12)11-8(4)15/h2,5-7,9,13-14H,3H2,1H3/t5-,6-,7+,9-/m1/s1
InChIKey
WLLOAUCNUMYOQI-JAGXHNFQSA-N
Compound name
(2R,4R,5R,6S)-5-hydroxy-4-(hydroxymethyl)-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

1495
Patents

240.07462 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08190 149.6
[M+Na]+ 263.06384 160.1
[M+NH4]+ 258.10844 155.8
[M+K]+ 279.03778 161.3
[M-H]- 239.06734 150.6
[M+Na-2H]- 261.04929 148.7
[M]+ 240.07407 151.0
[M]- 240.07517 151.0
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

patents stripe