CID 297027

8-(3-(2,3-dihydro-2-benzofuranyl)propyl)-3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)decane

Structural Information

Molecular Formula
C25H31N3O2
SMILES
CN1CN(C2(C1=O)CCN(CC2)CCCC3CC4=CC=CC=C4O3)C5=CC=CC=C5
InChI
InChI=1S/C25H31N3O2/c1-26-19-28(21-9-3-2-4-10-21)25(24(26)29)13-16-27(17-14-25)15-7-11-22-18-20-8-5-6-12-23(20)30-22/h2-6,8-10,12,22H,7,11,13-19H2,1H3
InChIKey
MFIMWTJHRRPOPK-UHFFFAOYSA-N
Compound name
8-[3-(2,3-dihydro-1-benzofuran-2-yl)propyl]-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

405.24164 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.24892 201.9
[M+Na]+ 428.23086 206.8
[M-H]- 404.23436 210.0
[M+NH4]+ 423.27546 213.2
[M+K]+ 444.20480 201.1
[M+H-H2O]+ 388.23890 190.2
[M+HCOO]- 450.23984 213.3
[M+CH3COO]- 464.25549 209.3
[M+Na-2H]- 426.21631 197.7
[M]+ 405.24109 197.8
[M]- 405.24219 197.8
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.