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]+ 425.207106 204.1
[M+Na]+ 447.189048 208.3
[M-H]- 423.192554 210.3
[M+NH4]+ 442.233653 212.0
[M+K]+ 463.162988 205.4
[M+H-H2O]+ 407.197090 193.9
[M+HCOO]- 469.198031 223.4
[M+CH3COO]- 483.213681 232.8
[M+Na-2H]- 445.174496 206.1
[M]+ 424.19928142 208.5
[M]- 424.20037858 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.