CID 474456

1-[(2r,4r,5s)-4,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-4-[(z)-1-piperidylmethyleneamino]pyrimidin-2-one

Structural Information

Molecular Formula
C16H24N4O4
SMILES
C1CCN(CC1)C=NC2=NC(=O)N(C=C2)[C@H]3C[C@@H]([C@H](O3)CO)CO
InChI
InChI=1S/C16H24N4O4/c21-9-12-8-15(24-13(12)10-22)20-7-4-14(18-16(20)23)17-11-19-5-2-1-3-6-19/h4,7,11-13,15,21-22H,1-3,5-6,8-10H2/t12-,13-,15-/m1/s1
InChIKey
NLXTURQBHBFSSL-UMVBOHGHSA-N
Compound name
1-[(2R,4R,5S)-4,5-bis(hydroxymethyl)oxolan-2-yl]-4-(piperidin-1-ylmethylideneamino)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.17975 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.18703 179.6
[M+Na]+ 359.16897 183.9
[M-H]- 335.17247 183.9
[M+NH4]+ 354.21357 188.0
[M+K]+ 375.14291 180.7
[M+H-H2O]+ 319.17701 169.1
[M+HCOO]- 381.17795 193.8
[M+CH3COO]- 395.19360 207.7
[M+Na-2H]- 357.15442 179.1
[M]+ 336.17920 175.8
[M]- 336.18030 175.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.