CID 5482544

Dimethyl 2-[1-[(2r,5s)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-2-oxo-pyrimidin-4-ylidene]propanedioate

Structural Information

Molecular Formula
C15H18N2O7
SMILES
CC1=CN(C(=O)NC1=C(C(=O)OC)C(=O)OC)[C@H]2C=C[C@H](O2)CO
InChI
InChI=1S/C15H18N2O7/c1-8-6-17(10-5-4-9(7-18)24-10)15(21)16-12(8)11(13(19)22-2)14(20)23-3/h4-6,9-10,18H,7H2,1-3H3,(H,16,21)/t9-,10+/m0/s1
InChIKey
GQKKCGYYWBYJLT-VHSXEESVSA-N
Compound name
dimethyl 2-[1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-2-oxopyrimidin-4-ylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1114 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11868 174.7
[M+Na]+ 361.10062 180.2
[M-H]- 337.10412 176.8
[M+NH4]+ 356.14522 184.4
[M+K]+ 377.07456 179.3
[M+H-H2O]+ 321.10866 167.4
[M+HCOO]- 383.10960 187.8
[M+CH3COO]- 397.12525 204.5
[M+Na-2H]- 359.08607 171.2
[M]+ 338.11085 175.5
[M]- 338.11195 175.5
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.