CID 10389213

A-317920

Structural Information

Molecular Formula
C25H31N3O5
SMILES
C[C@H](C(=O)N1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)C3CC3)NC(=O)C4=CC=CO4
InChI
InChI=1S/C25H31N3O5/c1-18(26-24(30)22-4-2-16-33-22)25(31)28-14-12-27(13-15-28)11-3-17-32-21-9-7-20(8-10-21)23(29)19-5-6-19/h2,4,7-10,16,18-19H,3,5-6,11-15,17H2,1H3,(H,26,30)/t18-/m1/s1
InChIKey
RTRADBQSZJIRMT-GOSISDBHSA-N
Compound name
N-[(2R)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

4
Patents

453.22638 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.23366 208.4
[M+Na]+ 476.21560 218.0
[M+NH4]+ 471.26020 212.8
[M+K]+ 492.18954 216.9
[M-H]- 452.21910 219.8
[M+Na-2H]- 474.20105 214.7
[M]+ 453.22583 213.6
[M]- 453.22693 213.6
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