CID 474454

N'-[1-[(2r,4r,5s)-4,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]-n,n-dipropyl-formamidine

Structural Information

Molecular Formula
C17H28N4O4
SMILES
CCCN(CCC)C=NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)CO)CO
InChI
InChI=1S/C17H28N4O4/c1-3-6-20(7-4-2)12-18-15-5-8-21(17(24)19-15)16-9-13(10-22)14(11-23)25-16/h5,8,12-14,16,22-23H,3-4,6-7,9-11H2,1-2H3/t13-,14-,16-/m1/s1
InChIKey
SCKNPTLSHRASJD-IIAWOOMASA-N
Compound name
N'-[1-[(2R,4R,5S)-4,5-bis(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dipropylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.21106 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.21834 185.6
[M+Na]+ 375.20028 190.5
[M-H]- 351.20378 190.0
[M+NH4]+ 370.24488 195.9
[M+K]+ 391.17422 188.6
[M+H-H2O]+ 335.20832 176.0
[M+HCOO]- 397.20926 205.4
[M+CH3COO]- 411.22491 219.1
[M+Na-2H]- 373.18573 185.4
[M]+ 352.21051 188.9
[M]- 352.21161 188.9
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.