CID 217922

39890-22-7

Structural Information

Molecular Formula
C24H30N2O5
SMILES
C1CN(CCN1CC2COC3(O2)C4=CC=CC=C4COC5=CC=CC=C35)CC(CO)O
InChI
InChI=1S/C24H30N2O5/c27-15-19(28)13-25-9-11-26(12-10-25)14-20-17-30-24(31-20)21-6-2-1-5-18(21)16-29-23-8-4-3-7-22(23)24/h1-8,19-20,27-28H,9-17H2
InChIKey
QKENHOVOJATOHF-UHFFFAOYSA-N
Compound name
3-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.21548 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.22276 209.9
[M+Na]+ 449.20470 218.7
[M+NH4]+ 444.24930 216.5
[M+K]+ 465.17864 214.3
[M-H]- 425.20820 215.8
[M+Na-2H]- 447.19015 211.1
[M]+ 426.21493 212.9
[M]- 426.21603 212.9
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.