CID 3041423

54080-21-6

Structural Information

Molecular Formula
C25H30FN3O3
SMILES
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC4(OCCO4)C5=CC=C(C=C5)F
InChI
InChI=1S/C25H30FN3O3/c26-21-9-7-20(8-10-21)25(31-17-18-32-25)11-4-14-28-15-12-24(13-16-28)23(30)27-19-29(24)22-5-2-1-3-6-22/h1-3,5-10H,4,11-19H2,(H,27,30)
InChIKey
SFQUTTGZLHJZLP-UHFFFAOYSA-N
Compound name
8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

439.2271 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.23438 204.9
[M+Na]+ 462.21632 208.6
[M-H]- 438.21982 213.0
[M+NH4]+ 457.26092 213.1
[M+K]+ 478.19026 204.2
[M+H-H2O]+ 422.22436 192.3
[M+HCOO]- 484.22530 213.3
[M+CH3COO]- 498.24095 211.1
[M+Na-2H]- 460.20177 200.7
[M]+ 439.22655 197.7
[M]- 439.22765 197.7
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

patents stripe