CID 390770

Nsc688533

Structural Information

Molecular Formula
C11H14N6O4
SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N3N=CN=N3
InChI
InChI=1S/C11H14N6O4/c1-6-3-16(11(20)14-10(6)19)9-2-7(8(4-18)21-9)17-13-5-12-15-17/h3,5,7-9,18H,2,4H2,1H3,(H,14,19,20)
InChIKey
NFNLNGUVUTUNNM-UHFFFAOYSA-N
Compound name
1-[5-(hydroxymethyl)-4-(tetrazol-2-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

294.10767 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11495 166.0
[M+Na]+ 317.09689 176.5
[M-H]- 293.10039 167.8
[M+NH4]+ 312.14149 174.0
[M+K]+ 333.07083 172.7
[M+H-H2O]+ 277.10493 156.1
[M+HCOO]- 339.10587 180.2
[M+CH3COO]- 353.12152 175.9
[M+Na-2H]- 315.08234 165.1
[M]+ 294.10712 166.3
[M]- 294.10822 166.3
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.