CID 3042883

1,3,8-triazaspiro(4,5)decane-3-carboxamide, n,n-dimethyl-4-oxo-1-phenyl-8-(3-(2-thenoyl)propyl)-, fumarate

Structural Information

Molecular Formula
C24H30N4O3S
SMILES
CN(C)C(=O)N1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=CS3)C4=CC=CC=C4
InChI
InChI=1S/C24H30N4O3S/c1-25(2)23(31)27-18-28(19-8-4-3-5-9-19)24(22(27)30)12-15-26(16-13-24)14-6-10-20(29)21-11-7-17-32-21/h3-5,7-9,11,17H,6,10,12-16,18H2,1-2H3
InChIKey
KYYSWCXUWGMMEU-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-oxo-8-(4-oxo-4-thiophen-2-ylbutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.20386 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.21114 209.5
[M+Na]+ 477.19308 213.0
[M-H]- 453.19658 218.1
[M+NH4]+ 472.23768 220.3
[M+K]+ 493.16702 209.3
[M+H-H2O]+ 437.20112 200.1
[M+HCOO]- 499.20206 219.8
[M+CH3COO]- 513.21771 232.3
[M+Na-2H]- 475.17853 202.9
[M]+ 454.20331 209.5
[M]- 454.20441 209.5
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.