CID 3042881

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

Structural Information

Molecular Formula
C28H35FN4O4
SMILES
CN(C)C(=O)N1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5
InChI
InChI=1S/C28H35FN4O4/c1-30(2)26(35)32-21-33(24-7-4-3-5-8-24)27(25(32)34)14-17-31(18-15-27)16-6-13-28(36-19-20-37-28)22-9-11-23(29)12-10-22/h3-5,7-12H,6,13-21H2,1-2H3
InChIKey
KVDPJXBBHAGCAA-UHFFFAOYSA-N
Compound name
8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N-dimethyl-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

510.26422 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.27150 222.5
[M+Na]+ 533.25344 231.1
[M+NH4]+ 528.29804 229.2
[M+K]+ 549.22738 225.9
[M-H]- 509.25694 229.1
[M+Na-2H]- 531.23889 228.6
[M]+ 510.26367 225.5
[M]- 510.26477 225.5
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.