CID 380357

1,3,8-triazaspiro(4,5)decane-3-carboxamide, n,n-diethyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, hydrochloride

Structural Information

Molecular Formula
C30H39FN4O4
SMILES
CCN(CC)C(=O)N1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5
InChI
InChI=1S/C30H39FN4O4/c1-3-33(4-2)28(37)34-23-35(26-9-6-5-7-10-26)29(27(34)36)16-19-32(20-17-29)18-8-15-30(38-21-22-39-30)24-11-13-25(31)14-12-24/h5-7,9-14H,3-4,8,15-23H2,1-2H3
InChIKey
QTPOYHWOQPIMFA-UHFFFAOYSA-N
Compound name
N,N-diethyl-8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-4-oxo-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

538.29553 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.30281 229.8
[M+Na]+ 561.28475 231.5
[M-H]- 537.28825 240.2
[M+NH4]+ 556.32935 235.0
[M+K]+ 577.25869 229.2
[M+H-H2O]+ 521.29279 216.9
[M+HCOO]- 583.29373 238.8
[M+CH3COO]- 597.30938 234.7
[M+Na-2H]- 559.27020 222.9
[M]+ 538.29498 226.9
[M]- 538.29608 226.9
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.