CID 24847085

102395-41-5

Structural Information

Molecular Formula
C24H29N3O2S
SMILES
C=CCN1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=CS3)C4=CC=CC=C4
InChI
InChI=1S/C24H29N3O2S/c1-2-14-26-19-27(20-8-4-3-5-9-20)24(23(26)29)12-16-25(17-13-24)15-6-10-21(28)22-11-7-18-30-22/h2-5,7-9,11,18H,1,6,10,12-17,19H2
InChIKey
QUHULNRVIBLLHW-UHFFFAOYSA-N
Compound name
8-(4-oxo-4-thiophen-2-ylbutyl)-1-phenyl-3-prop-2-enyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.19806 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.20534 202.9
[M+Na]+ 446.18728 212.9
[M+NH4]+ 441.23188 210.6
[M+K]+ 462.16122 205.1
[M-H]- 422.19078 206.8
[M+Na-2H]- 444.17273 209.1
[M]+ 423.19751 205.8
[M]- 423.19861 205.8
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.