CID 515061

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

Structural Information

Molecular Formula
C24H26N4O3
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)N=CN(CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C24H26N4O3/c29-17-21-11-12-23(31-21)28-14-13-22(26-24(28)30)25-18-27(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-10,13-14,18,21,23,29H,11-12,15-17H2/t21-,23+/m0/s1
InChIKey
VHNITFNIJSBSIS-JTHBVZDNSA-N
Compound name
N,N-dibenzyl-N'-[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.2005 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.20778 200.3
[M+Na]+ 441.18972 204.1
[M-H]- 417.19322 211.6
[M+NH4]+ 436.23432 206.9
[M+K]+ 457.16366 200.0
[M+H-H2O]+ 401.19776 187.6
[M+HCOO]- 463.19870 221.4
[M+CH3COO]- 477.21435 208.7
[M+Na-2H]- 439.17517 201.9
[M]+ 418.19995 200.6
[M]- 418.20105 200.6
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.