CID 589075

Ck-666

Structural Information

Molecular Formula
C18H17FN2O
SMILES
CC1=C(C2=CC=CC=C2N1)CCNC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C18H17FN2O/c1-12-13(14-6-3-5-9-17(14)21-12)10-11-20-18(22)15-7-2-4-8-16(15)19/h2-9,21H,10-11H2,1H3,(H,20,22)
InChIKey
UXRKUKRXVWJFER-UHFFFAOYSA-N
Compound name
2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

28
References

33
Patents

296.13248 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13976 167.9
[M+Na]+ 319.12170 176.6
[M-H]- 295.12520 172.2
[M+NH4]+ 314.16630 183.9
[M+K]+ 335.09564 169.9
[M+H-H2O]+ 279.12974 159.0
[M+HCOO]- 341.13068 189.5
[M+CH3COO]- 355.14633 179.2
[M+Na-2H]- 317.10715 171.3
[M]+ 296.13193 167.6
[M]- 296.13303 167.6
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.