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]+ 380.23326 195.5
[M+Na]+ 402.21520 199.5
[M-H]- 378.21870 200.5
[M+NH4]+ 397.25980 205.5
[M+K]+ 418.18914 192.6
[M+H-H2O]+ 362.22324 183.2
[M+HCOO]- 424.22418 207.9
[M+CH3COO]- 438.23983 202.3
[M+Na-2H]- 400.20065 194.2
[M]+ 379.22543 189.8
[M]- 379.22653 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.