CID 297078

102395-59-5

Structural Information

Molecular Formula
C24H29N3O4
SMILES
CCOC1=CC=CC2=C1OC(CO2)CN3CCC4(CC3)C(=O)NCN4C5=CC=CC=C5
InChI
InChI=1S/C24H29N3O4/c1-2-29-20-9-6-10-21-22(20)31-19(16-30-21)15-26-13-11-24(12-14-26)23(28)25-17-27(24)18-7-4-3-5-8-18/h3-10,19H,2,11-17H2,1H3,(H,25,28)
InChIKey
SGYOPRMRWBLBLQ-UHFFFAOYSA-N
Compound name
8-[(5-ethoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.21582 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.22310 203.8
[M+Na]+ 446.20504 207.7
[M-H]- 422.20854 210.6
[M+NH4]+ 441.24964 210.1
[M+K]+ 462.17898 203.8
[M+H-H2O]+ 406.21308 191.3
[M+HCOO]- 468.21402 211.0
[M+CH3COO]- 482.22967 209.9
[M+Na-2H]- 444.19049 202.7
[M]+ 423.21527 198.8
[M]- 423.21637 198.8
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

No patent data available for this compound.