CID 24847071

102395-19-7

Structural Information

Molecular Formula
C28H35FN4O3
SMILES
CCN(CC)C(=O)N1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C28H35FN4O3/c1-3-31(4-2)27(36)32-21-33(24-9-6-5-7-10-24)28(26(32)35)16-19-30(20-17-28)18-8-11-25(34)22-12-14-23(29)15-13-22/h5-7,9-10,12-15H,3-4,8,11,16-21H2,1-2H3
InChIKey
KXTFZASABDMMLX-UHFFFAOYSA-N
Compound name
N,N-diethyl-8-[4-(4-fluorophenyl)-4-oxobutyl]-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

494.26932 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.27660 222.1
[M+Na]+ 517.25854 224.2
[M-H]- 493.26204 228.3
[M+NH4]+ 512.30314 228.3
[M+K]+ 533.23248 219.0
[M+H-H2O]+ 477.26658 208.5
[M+HCOO]- 539.26752 233.3
[M+CH3COO]- 553.28317 244.5
[M+Na-2H]- 515.24399 216.1
[M]+ 494.26877 218.7
[M]- 494.26987 218.7
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.