CID 49767010

Nsc655362

Structural Information

Molecular Formula
C10H11N5O5
SMILES
CC1=C2N([C@@H]3[C@H](O2)[C@@H]([C@@H](O3)CO)N=[N+]=[N-])C(=O)NC1=O
InChI
InChI=1S/C10H11N5O5/c1-3-7(17)12-10(18)15-8(3)20-6-5(13-14-11)4(2-16)19-9(6)15/h4-6,9,16H,2H2,1H3,(H,12,17,18)/t4-,5+,6+,9-/m0/s1
InChIKey
YJPCPIDLXRUUCM-VODXULPGSA-N
Compound name
(2S,4R,5R,6R)-5-azido-4-(hydroxymethyl)-9-methyl-3,7-dioxa-1,11-diazatricyclo[6.4.0.02,6]dodec-8-ene-10,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.07602 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08330 157.4
[M+Na]+ 304.06524 167.0
[M-H]- 280.06874 162.8
[M+NH4]+ 299.10984 172.6
[M+K]+ 320.03918 160.8
[M+H-H2O]+ 264.07328 155.7
[M+HCOO]- 326.07422 179.9
[M+CH3COO]- 340.08987 197.5
[M+Na-2H]- 302.05069 166.0
[M]+ 281.07547 157.9
[M]- 281.07657 157.9
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.