CID 5311097

Ly 344864

Structural Information

Molecular Formula
C21H22FN3O
SMILES
CN(C)[C@@H]1CCC2=C(C1)C3=C(N2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H22FN3O/c1-25(2)16-8-10-20-18(12-16)17-11-15(7-9-19(17)24-20)23-21(26)13-3-5-14(22)6-4-13/h3-7,9,11,16,24H,8,10,12H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKey
GKWHICIUSVVNGX-MRXNPFEDSA-N
Compound name
N-[(6R)-6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

9
Patents

351.17468 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.18196 182.9
[M+Na]+ 374.16390 194.7
[M+NH4]+ 369.20850 190.7
[M+K]+ 390.13784 188.9
[M-H]- 350.16740 187.1
[M+Na-2H]- 372.14935 188.6
[M]+ 351.17413 185.6
[M]- 351.17523 185.6
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

patents stripe