CID 380369

Nsc665889

Structural Information

Molecular Formula
C27H33FN4O4
SMILES
CNC(=O)N1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5
InChI
InChI=1S/C27H33FN4O4/c1-29-25(34)31-20-32(23-6-3-2-4-7-23)26(24(31)33)13-16-30(17-14-26)15-5-12-27(35-18-19-36-27)21-8-10-22(28)11-9-21/h2-4,6-11H,5,12-20H2,1H3,(H,29,34)
InChIKey
IKTIXEYBQJAPFM-UHFFFAOYSA-N
Compound name
8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N-methyl-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

496.2486 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.25588 217.8
[M+Na]+ 519.23782 220.8
[M-H]- 495.24132 227.4
[M+NH4]+ 514.28242 224.1
[M+K]+ 535.21176 217.7
[M+H-H2O]+ 479.24586 205.3
[M+HCOO]- 541.24680 227.3
[M+CH3COO]- 555.26245 223.4
[M+Na-2H]- 517.22327 212.9
[M]+ 496.24805 212.9
[M]- 496.24915 212.9
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.