CID 380314

101607-44-7

Structural Information

Molecular Formula
C20H26FN3O3
SMILES
CN(C)N1C(=O)CC2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H26FN3O3/c1-22(2)24-18(26)14-20(19(24)27)9-12-23(13-10-20)11-3-4-17(25)15-5-7-16(21)8-6-15/h5-8H,3-4,9-14H2,1-2H3
InChIKey
ILVXNXRHHAUIEM-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-8-[4-(4-fluorophenyl)-4-oxobutyl]-2,8-diazaspiro[4.5]decane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.19583 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20311 188.8
[M+Na]+ 398.18505 193.7
[M-H]- 374.18855 194.0
[M+NH4]+ 393.22965 202.1
[M+K]+ 414.15899 190.1
[M+H-H2O]+ 358.19309 178.5
[M+HCOO]- 420.19403 203.9
[M+CH3COO]- 434.20968 223.0
[M+Na-2H]- 396.17050 185.8
[M]+ 375.19528 185.7
[M]- 375.19638 185.7
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.