CID 54693680

N-tert-butyl-3-hydroxy-4-(1h-indol-3-yl)-5-oxo-2-phenethyl-furan-2-carboxamide

Structural Information

Molecular Formula
C25H26N2O4
SMILES
CC(C)(C)NC(=O)C1(C(=C(C(=O)O1)C2=CNC3=CC=CC=C32)O)CCC4=CC=CC=C4
InChI
InChI=1S/C25H26N2O4/c1-24(2,3)27-23(30)25(14-13-16-9-5-4-6-10-16)21(28)20(22(29)31-25)18-15-26-19-12-8-7-11-17(18)19/h4-12,15,26,28H,13-14H2,1-3H3,(H,27,30)
InChIKey
YUUJAEUUEHKJJS-UHFFFAOYSA-N
Compound name
N-tert-butyl-3-hydroxy-4-(1H-indol-3-yl)-5-oxo-2-(2-phenylethyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.18927 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.19655 201.3
[M+Na]+ 441.17849 208.5
[M-H]- 417.18199 210.0
[M+NH4]+ 436.22309 213.8
[M+K]+ 457.15243 203.8
[M+H-H2O]+ 401.18653 194.4
[M+HCOO]- 463.18747 218.9
[M+CH3COO]- 477.20312 222.6
[M+Na-2H]- 439.16394 202.7
[M]+ 418.18872 204.0
[M]- 418.18982 204.0
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.