CID 44225952

Chembl561488

Structural Information

Molecular Formula
C23H24FN3O2
SMILES
CN1CCC(=O)[C@]2(C1)[C@H](CN([C@]23C4=CC=CC=C4NC3=O)C)C5=CC(=CC=C5)F
InChI
InChI=1S/C23H24FN3O2/c1-26-11-10-20(28)22(14-26)18(15-6-5-7-16(24)12-15)13-27(2)23(22)17-8-3-4-9-19(17)25-21(23)29/h3-9,12,18H,10-11,13-14H2,1-2H3,(H,25,29)/t18-,22+,23+/m1/s1
InChIKey
NIMGFLSUXXNOGP-LEOXJPRUSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

393.18524 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.19252 197.7
[M+Na]+ 416.17446 207.0
[M-H]- 392.17796 203.5
[M+NH4]+ 411.21906 213.5
[M+K]+ 432.14840 198.7
[M+H-H2O]+ 376.18250 186.6
[M+HCOO]- 438.18344 208.5
[M+CH3COO]- 452.19909 206.0
[M+Na-2H]- 414.15991 193.9
[M]+ 393.18469 191.4
[M]- 393.18579 191.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.