CID 197255

Sipi 644

Structural Information

Molecular Formula
C24H28N2O5
SMILES
CCC(=O)NCCNCC(COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=C(C=C3)C)O
InChI
InChI=1S/C24H28N2O5/c1-3-24(29)26-11-10-25-14-18(27)15-30-19-8-9-20-21(28)13-22(31-23(20)12-19)17-6-4-16(2)5-7-17/h4-9,12-13,18,25,27H,3,10-11,14-15H2,1-2H3,(H,26,29)
InChIKey
AJUCOSNBVHSNDR-UHFFFAOYSA-N
Compound name
N-[2-[[2-hydroxy-3-[2-(4-methylphenyl)-4-oxochromen-7-yl]oxypropyl]amino]ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

424.19983 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.20711 204.1
[M+Na]+ 447.18905 208.3
[M-H]- 423.19255 210.3
[M+NH4]+ 442.23365 212.0
[M+K]+ 463.16299 205.4
[M+H-H2O]+ 407.19709 193.9
[M+HCOO]- 469.19803 223.4
[M+CH3COO]- 483.21368 232.8
[M+Na-2H]- 445.17450 206.1
[M]+ 424.19928 208.5
[M]- 424.20038 208.5
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

No patent data available for this compound.