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]+ 396.21040 196.0
[M+Na]+ 418.19234 209.2
[M+NH4]+ 413.23694 205.4
[M+K]+ 434.16628 197.8
[M-H]- 394.19584 202.0
[M+Na-2H]- 416.17779 205.0
[M]+ 395.20257 200.3
[M]- 395.20367 200.3
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.