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]+ 346.155016 181.8
[M+Na]+ 368.136958 190.3
[M-H]- 344.140464 191.1
[M+NH4]+ 363.181563 193.0
[M+K]+ 384.110898 185.7
[M+H-H2O]+ 328.145000 171.1
[M+HCOO]- 390.145941 203.6
[M+CH3COO]- 404.161591 192.8
[M+Na-2H]- 366.122406 187.2
[M]+ 345.14719142 185.7
[M]- 345.14828858 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.