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]+ 322.15838 177.1
[M+Na]+ 344.14032 182.7
[M-H]- 320.14382 180.1
[M+NH4]+ 339.18492 192.9
[M+K]+ 360.11426 178.4
[M+H-H2O]+ 304.14836 169.6
[M+HCOO]- 366.14930 186.4
[M+CH3COO]- 380.16495 185.9
[M+Na-2H]- 342.12577 172.4
[M]+ 321.15055 174.2
[M]- 321.15165 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.