CID 848641

N-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)glycine

Structural Information

Molecular Formula
C20H15N3O3
SMILES
C1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)NCC(=O)O)C4=CC=CC=C4
InChI
InChI=1S/C20H15N3O3/c24-15(25)11-21-19-17-16(13-7-3-1-4-8-13)18(14-9-5-2-6-10-14)26-20(17)23-12-22-19/h1-10,12H,11H2,(H,24,25)(H,21,22,23)
InChIKey
VXTCEUDVOCLEJG-UHFFFAOYSA-N
Compound name
2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

345.11133 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.11861 178.8
[M+Na]+ 368.10055 187.4
[M-H]- 344.10405 187.1
[M+NH4]+ 363.14515 189.2
[M+K]+ 384.07449 182.5
[M+H-H2O]+ 328.10859 168.6
[M+HCOO]- 390.10953 199.9
[M+CH3COO]- 404.12518 189.6
[M+Na-2H]- 366.08600 184.7
[M]+ 345.11078 181.4
[M]- 345.11188 181.4
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

patents stripe