CID 1587957

2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol

Structural Information

Molecular Formula
C20H17N3O2
SMILES
C1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)NCCO)C4=CC=CC=C4
InChI
InChI=1S/C20H17N3O2/c24-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)25-20(17)23-13-22-19/h1-10,13,24H,11-12H2,(H,21,22,23)
InChIKey
UQHINZSKNAAVOZ-UHFFFAOYSA-N
Compound name
2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

331.13208 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.13936 176.2
[M+Na]+ 354.12130 185.2
[M-H]- 330.12480 184.3
[M+NH4]+ 349.16590 187.4
[M+K]+ 370.09524 179.4
[M+H-H2O]+ 314.12934 166.0
[M+HCOO]- 376.13028 198.0
[M+CH3COO]- 390.14593 187.2
[M+Na-2H]- 352.10675 183.1
[M]+ 331.13153 178.7
[M]- 331.13263 178.7
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