CID 3035266

Flavone 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]+ 435.22783 204.2
[M+Na]+ 457.20977 205.8
[M-H]- 433.21327 213.2
[M+NH4]+ 452.25437 211.4
[M+K]+ 473.18371 201.9
[M+H-H2O]+ 417.21781 192.6
[M+HCOO]- 479.21875 222.0
[M+CH3COO]- 493.23440 233.7
[M+Na-2H]- 455.19522 206.9
[M]+ 434.22000 202.8
[M]- 434.22110 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