CID 135491493

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

Structural Information

Molecular Formula
C17H16N4O4S
SMILES
C1C(OC(S1)CO)CN2C=CC(=NC2=O)N=C3C4=CC=CC=C4NC3=O
InChI
InChI=1S/C17H16N4O4S/c22-8-14-25-10(9-26-14)7-21-6-5-13(20-17(21)24)19-15-11-3-1-2-4-12(11)18-16(15)23/h1-6,10,14,22H,7-9H2,(H,18,19,20,23,24)
InChIKey
VDHYSMQFBYGEHN-UHFFFAOYSA-N
Compound name
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

372.08923 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09651 183.9
[M+Na]+ 395.07845 193.0
[M-H]- 371.08195 191.2
[M+NH4]+ 390.12305 195.1
[M+K]+ 411.05239 188.1
[M+H-H2O]+ 355.08649 176.5
[M+HCOO]- 417.08743 197.3
[M+CH3COO]- 431.10308 193.8
[M+Na-2H]- 393.06390 182.3
[M]+ 372.08868 185.6
[M]- 372.08978 185.6
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.