CID 589075

442633-00-3

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

17
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

literature stripe

Patent stripe

patents stripe