CID 11553058

2,3-diphenyl-n-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine

Structural Information

Molecular Formula
C25H26N4O
SMILES
C1CN(CCN1)CCNC2=C3C(=C(OC3=NC=C2)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H26N4O/c1-3-7-19(8-4-1)22-23-21(27-15-18-29-16-13-26-14-17-29)11-12-28-25(23)30-24(22)20-9-5-2-6-10-20/h1-12,26H,13-18H2,(H,27,28)
InChIKey
QUIQCYFSBGOBKE-UHFFFAOYSA-N
Compound name
2,3-diphenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

398.21066 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.21794 194.7
[M+Na]+ 421.19988 199.7
[M-H]- 397.20338 202.7
[M+NH4]+ 416.24448 200.8
[M+K]+ 437.17382 191.9
[M+H-H2O]+ 381.20792 181.9
[M+HCOO]- 443.20886 210.0
[M+CH3COO]- 457.22451 202.1
[M+Na-2H]- 419.18533 197.9
[M]+ 398.21011 190.9
[M]- 398.21121 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