CID 201915

Brn 0631430

Structural Information

Molecular Formula
C23H29N3O2
SMILES
CC1=CC=CC=C1OCCCN2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4
InChI
InChI=1S/C23H29N3O2/c1-19-8-5-6-11-21(19)28-17-7-14-25-15-12-23(13-16-25)22(27)24-18-26(23)20-9-3-2-4-10-20/h2-6,8-11H,7,12-18H2,1H3,(H,24,27)
InChIKey
OOPSONKKJPIYSZ-UHFFFAOYSA-N
Compound name
8-[3-(2-methylphenoxy)propyl]-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

379.22598 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.233256 195.5
[M+Na]+ 402.215198 199.5
[M-H]- 378.218704 200.5
[M+NH4]+ 397.259803 205.5
[M+K]+ 418.189138 192.6
[M+H-H2O]+ 362.223240 183.2
[M+HCOO]- 424.224181 207.9
[M+CH3COO]- 438.239831 202.3
[M+Na-2H]- 400.200646 194.2
[M]+ 379.22543142 189.8
[M]- 379.22652858 189.8
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.