CID 366546

Nsc635167

Structural Information

Molecular Formula
C11H14N4O6
SMILES
C1C(=O)NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O
InChI
InChI=1S/C11H14N4O6/c16-2-4-7(18)8(19)11(21-4)15-3-13-6-9(15)14-5(17)1-12-10(6)20/h3-4,7-8,11,16,18-19H,1-2H2,(H,12,20)(H,14,17)
InChIKey
VPQWBCXZPRBCSQ-UHFFFAOYSA-N
Compound name
3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,7-dihydro-4H-imidazo[4,5-e][1,4]diazepine-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.09134 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09862 167.9
[M+Na]+ 321.08056 174.2
[M-H]- 297.08406 167.2
[M+NH4]+ 316.12516 176.9
[M+K]+ 337.05450 174.6
[M+H-H2O]+ 281.08860 158.8
[M+HCOO]- 343.08954 176.2
[M+CH3COO]- 357.10519 175.6
[M+Na-2H]- 319.06601 164.9
[M]+ 298.09079 161.0
[M]- 298.09189 161.0
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.