CID 24847110

1,3,8-triazaspiro(4.5)decan-4-one, 3-methyl-1-phenyl-8-(3-(phenylthio)propyl)-

Structural Information

Molecular Formula
C23H29N3OS
SMILES
CN1CN(C2(C1=O)CCN(CC2)CCCSC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H29N3OS/c1-24-19-26(20-9-4-2-5-10-20)23(22(24)27)13-16-25(17-14-23)15-8-18-28-21-11-6-3-7-12-21/h2-7,9-12H,8,13-19H2,1H3
InChIKey
XJOLSLBVMXSXIQ-UHFFFAOYSA-N
Compound name
3-methyl-1-phenyl-8-(3-phenylsulfanylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.20312 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.210396 196.9
[M+Na]+ 418.192338 202.4
[M-H]- 394.195844 203.4
[M+NH4]+ 413.236943 208.2
[M+K]+ 434.166278 195.3
[M+H-H2O]+ 378.200380 185.7
[M+HCOO]- 440.201321 206.4
[M+CH3COO]- 454.216971 204.4
[M+Na-2H]- 416.177786 194.0
[M]+ 395.20257142 194.4
[M]- 395.20366858 194.4
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.