CID 4369432

(5,6-diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-acetic

Structural Information

Molecular Formula
C21H19N3O2
SMILES
CN(CCO)C1=C2C(=C(OC2=NC=N1)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H19N3O2/c1-24(12-13-25)20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)26-21(18)23-14-22-20/h2-11,14,25H,12-13H2,1H3
InChIKey
VDJWWYRYKMXMKA-UHFFFAOYSA-N
Compound name
2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)-methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.14774 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15502 181.8
[M+Na]+ 368.13696 190.3
[M-H]- 344.14046 191.1
[M+NH4]+ 363.18156 193.0
[M+K]+ 384.11090 185.7
[M+H-H2O]+ 328.14500 171.1
[M+HCOO]- 390.14594 203.6
[M+CH3COO]- 404.16159 192.8
[M+Na-2H]- 366.12241 187.2
[M]+ 345.14719 185.7
[M]- 345.14829 185.7
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

No patent data available for this compound.