CID 17756743

5,6-diphenyl-n-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C24H25N5O
SMILES
C1CN(CCN1)CCNC2=C3C(=C(OC3=NC=N2)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C24H25N5O/c1-3-7-18(8-4-1)20-21-23(26-13-16-29-14-11-25-12-15-29)27-17-28-24(21)30-22(20)19-9-5-2-6-10-19/h1-10,17,25H,11-16H2,(H,26,27,28)
InChIKey
PTILEOLOGGMFCS-UHFFFAOYSA-N
Compound name
5,6-diphenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

399.2059 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.21318 194.5
[M+Na]+ 422.19512 199.9
[M-H]- 398.19862 201.3
[M+NH4]+ 417.23972 199.2
[M+K]+ 438.16906 192.0
[M+H-H2O]+ 382.20316 181.0
[M+HCOO]- 444.20410 208.7
[M+CH3COO]- 458.21975 201.5
[M+Na-2H]- 420.18057 198.2
[M]+ 399.20535 190.9
[M]- 399.20645 190.9
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