CID 218396

40536-30-9

Structural Information

Molecular Formula
C25H30N2O4
SMILES
C1CN(CCN1CC2COC3(O2)C4=CC=CC=C4C=CC5=CC=CC=C35)CC(CO)O
InChI
InChI=1S/C25H30N2O4/c28-17-21(29)15-26-11-13-27(14-12-26)16-22-18-30-25(31-22)23-7-3-1-5-19(23)9-10-20-6-2-4-8-24(20)25/h1-10,21-22,28-29H,11-18H2
InChIKey
GUEAEPSUCSIHHH-UHFFFAOYSA-N
Compound name
3-[4-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)piperazin-1-yl]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.22055 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.22783 207.9
[M+Na]+ 445.20977 217.6
[M+NH4]+ 440.25437 215.1
[M+K]+ 461.18371 212.1
[M-H]- 421.21327 213.3
[M+Na-2H]- 443.19522 210.7
[M]+ 422.22000 210.9
[M]- 422.22110 210.9
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.