CID 24847111

1,3,8-triazaspiro(4,5)decan-4-one, 3-methyl-8-(3-(2-thenoyl)propyl)-

Structural Information

Molecular Formula
C16H23N3O2S
SMILES
CN1CNC2(C1=O)CCN(CC2)CCCC(=O)C3=CC=CS3
InChI
InChI=1S/C16H23N3O2S/c1-18-12-17-16(15(18)21)6-9-19(10-7-16)8-2-4-13(20)14-5-3-11-22-14/h3,5,11,17H,2,4,6-10,12H2,1H3
InChIKey
KCTDSFPCQHGLBD-UHFFFAOYSA-N
Compound name
3-methyl-8-(4-oxo-4-thiophen-2-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1511 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.158376 177.1
[M+Na]+ 344.140318 182.7
[M-H]- 320.143824 180.1
[M+NH4]+ 339.184923 192.9
[M+K]+ 360.114258 178.4
[M+H-H2O]+ 304.148360 169.6
[M+HCOO]- 366.149301 186.4
[M+CH3COO]- 380.164951 185.9
[M+Na-2H]- 342.125766 172.4
[M]+ 321.15055142 174.2
[M]- 321.15164858 174.2
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.