CID 515059

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

Structural Information

Molecular Formula
C23H24N4O3S
SMILES
CC1=CC=C(C=C1)N(C=NC2=NC(=O)N(C=C2)[C@@H]3CS[C@@H](O3)CO)C4=CC=C(C=C4)C
InChI
InChI=1S/C23H24N4O3S/c1-16-3-7-18(8-4-16)27(19-9-5-17(2)6-10-19)15-24-20-11-12-26(23(29)25-20)21-14-31-22(13-28)30-21/h3-12,15,21-22,28H,13-14H2,1-2H3/t21-,22+/m0/s1
InChIKey
KSOPLBGTHVWPGH-FCHUYYIVSA-N
Compound name
N'-[1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxopyrimidin-4-yl]-N,N-bis(4-methylphenyl)methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.15692 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.16420 205.2
[M+Na]+ 459.14614 212.0
[M-H]- 435.14964 217.7
[M+NH4]+ 454.19074 212.7
[M+K]+ 475.12008 207.3
[M+H-H2O]+ 419.15418 194.2
[M+HCOO]- 481.15512 222.2
[M+CH3COO]- 495.17077 214.2
[M+Na-2H]- 457.13159 204.0
[M]+ 436.15637 208.5
[M]- 436.15747 208.5
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.