CID 3062708

Brn 5629217

Structural Information

Molecular Formula
C16H17N3O5
SMILES
C1CC(OC1)COC2=CC=CC=C2NC3=NC=C(C(=O)N3)C(=O)O
InChI
InChI=1S/C16H17N3O5/c20-14-11(15(21)22)8-17-16(19-14)18-12-5-1-2-6-13(12)24-9-10-4-3-7-23-10/h1-2,5-6,8,10H,3-4,7,9H2,(H,21,22)(H2,17,18,19,20)
InChIKey
GGFPKAQLLGYKKC-UHFFFAOYSA-N
Compound name
6-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]-1H-pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.11682 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12410 175.4
[M+Na]+ 354.10604 185.9
[M+NH4]+ 349.15064 179.8
[M+K]+ 370.07998 183.9
[M-H]- 330.10954 178.8
[M+Na-2H]- 352.09149 180.5
[M]+ 331.11627 177.4
[M]- 331.11737 177.4
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.