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 204.7
[M+Na]+ 446.18728 209.7
[M-H]- 422.19078 211.8
[M+NH4]+ 441.23188 216.6
[M+K]+ 462.16122 203.3
[M+H-H2O]+ 406.19532 195.1
[M+HCOO]- 468.19626 214.5
[M+CH3COO]- 482.21191 212.0
[M+Na-2H]- 444.17273 197.8
[M]+ 423.19751 203.3
[M]- 423.19861 203.3
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.