CID 297020

1,3,8-triazaspiro(4.5)decan-4-one, 8-(5-methoxy-2,3-dihydro-2-benzofuranylmethyl)-3-methyl-1-phenyl-

Structural Information

Molecular Formula
C24H29N3O3
SMILES
CN1CN(C2(C1=O)CCN(CC2)CC3CC4=C(O3)C=CC(=C4)OC)C5=CC=CC=C5
InChI
InChI=1S/C24H29N3O3/c1-25-17-27(19-6-4-3-5-7-19)24(23(25)28)10-12-26(13-11-24)16-21-15-18-14-20(29-2)8-9-22(18)30-21/h3-9,14,21H,10-13,15-17H2,1-2H3
InChIKey
ZGSMDYBKPSCIDB-UHFFFAOYSA-N
Compound name
8-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-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

407.2209 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.22818 200.6
[M+Na]+ 430.21012 206.6
[M-H]- 406.21362 209.4
[M+NH4]+ 425.25472 212.1
[M+K]+ 446.18406 201.9
[M+H-H2O]+ 390.21816 189.5
[M+HCOO]- 452.21910 212.5
[M+CH3COO]- 466.23475 208.7
[M+Na-2H]- 428.19557 196.7
[M]+ 407.22035 198.2
[M]- 407.22145 198.2
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.