CID 135491494

(3z)-5-fluoro-3-[1-[[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]methyl]-2-oxo-pyrimidin-4-yl]imino-indolin-2-one

Structural Information

Molecular Formula
C17H15FN4O4S
SMILES
C1C(OC(S1)CO)CN2C=CC(=NC2=O)N=C3C4=C(C=CC(=C4)F)NC3=O
InChI
InChI=1S/C17H15FN4O4S/c18-9-1-2-12-11(5-9)15(16(24)19-12)20-13-3-4-22(17(25)21-13)6-10-8-27-14(7-23)26-10/h1-5,10,14,23H,6-8H2,(H,19,20,21,24,25)
InChIKey
PGYBACOZDXZFNM-UHFFFAOYSA-N
Compound name
5-fluoro-3-[1-[[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]methyl]-2-oxopyrimidin-4-yl]imino-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.0798 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.08708 187.1
[M+Na]+ 413.06902 197.0
[M-H]- 389.07252 193.3
[M+NH4]+ 408.11362 197.7
[M+K]+ 429.04296 191.6
[M+H-H2O]+ 373.07706 179.0
[M+HCOO]- 435.07800 199.4
[M+CH3COO]- 449.09365 196.7
[M+Na-2H]- 411.05447 184.3
[M]+ 390.07925 188.4
[M]- 390.08035 188.4
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.