CID 3035266

Fla 23

Structural Information

Molecular Formula
C26H30N2O4
SMILES
C1CCC(CC1)NCCCNC(=O)COC2=CC3=C(C=C2)C(=O)C=C(O3)C4=CC=CC=C4
InChI
InChI=1S/C26H30N2O4/c29-23-17-24(19-8-3-1-4-9-19)32-25-16-21(12-13-22(23)25)31-18-26(30)28-15-7-14-27-20-10-5-2-6-11-20/h1,3-4,8-9,12-13,16-17,20,27H,2,5-7,10-11,14-15,18H2,(H,28,30)
InChIKey
DESSKDKOLWZESD-UHFFFAOYSA-N
Compound name
N-[3-(cyclohexylamino)propyl]-2-(4-oxo-2-phenylchromen-7-yl)oxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

434.22055 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.227826 204.2
[M+Na]+ 457.209768 205.8
[M-H]- 433.213274 213.2
[M+NH4]+ 452.254373 211.4
[M+K]+ 473.183708 201.9
[M+H-H2O]+ 417.217810 192.6
[M+HCOO]- 479.218751 222.0
[M+CH3COO]- 493.234401 233.7
[M+Na-2H]- 455.195216 206.9
[M]+ 434.22000142 202.8
[M]- 434.22109858 202.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe