CID 515056

N'-[1-[(2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxo-pyrimidin-4-yl]-n,n-diphenyl-formamidine

Structural Information

Molecular Formula
C21H20N4O3S
SMILES
C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N=CN(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H20N4O3S/c26-13-20-28-19(14-29-20)24-12-11-18(23-21(24)27)22-15-25(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19-20,26H,13-14H2/t19-,20+/m0/s1
InChIKey
DRTSKXIACMMAPR-VQTJNVASSA-N
Compound name
N'-[1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxopyrimidin-4-yl]-N,N-diphenylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.1256 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.13288 194.4
[M+Na]+ 431.11482 200.6
[M-H]- 407.11832 206.6
[M+NH4]+ 426.15942 202.6
[M+K]+ 447.08876 196.2
[M+H-H2O]+ 391.12286 183.6
[M+HCOO]- 453.12380 212.3
[M+CH3COO]- 467.13945 203.8
[M+Na-2H]- 429.10027 195.8
[M]+ 408.12505 196.3
[M]- 408.12615 196.3
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.