CID 370563

Nsc643789

Structural Information

Molecular Formula
C16H18N2O7
SMILES
C1=CC=C(C=C1)COC2=CN(C(=O)NC2=O)C3C(C(C(O3)CO)O)O
InChI
InChI=1S/C16H18N2O7/c19-7-11-12(20)13(21)15(25-11)18-6-10(14(22)17-16(18)23)24-8-9-4-2-1-3-5-9/h1-6,11-13,15,19-21H,7-8H2,(H,17,22,23)
InChIKey
ACWJNEMMZVDODA-UHFFFAOYSA-N
Compound name
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylmethoxypyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1114 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.11868 176.6
[M+Na]+ 373.10062 184.5
[M-H]- 349.10412 180.3
[M+NH4]+ 368.14522 184.6
[M+K]+ 389.07456 180.8
[M+H-H2O]+ 333.10866 168.1
[M+HCOO]- 395.10960 191.4
[M+CH3COO]- 409.12525 202.6
[M+Na-2H]- 371.08607 176.4
[M]+ 350.11085 177.1
[M]- 350.11195 177.1
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.