CID 474453

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.21106 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.21834 186.4
[M+Na]+ 375.20028 190.7
[M-H]- 351.20378 191.1
[M+NH4]+ 370.24488 196.6
[M+K]+ 391.17422 190.1
[M+H-H2O]+ 335.20832 177.3
[M+HCOO]- 397.20926 204.2
[M+CH3COO]- 411.22491 221.0
[M+Na-2H]- 373.18573 183.9
[M]+ 352.21051 188.6
[M]- 352.21161 188.6
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.