CID 132496

Fgin-1-27

Structural Information

Molecular Formula
C28H37FN2O
SMILES
CCCCCCN(CCCCCC)C(=O)CC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)F
InChI
InChI=1S/C28H37FN2O/c1-3-5-7-11-19-31(20-12-8-6-4-2)27(32)21-25-24-13-9-10-14-26(24)30-28(25)22-15-17-23(29)18-16-22/h9-10,13-18,30H,3-8,11-12,19-21H2,1-2H3
InChIKey
VUWXAQFLTSBUDB-UHFFFAOYSA-N
Compound name
2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

81
References

176
Patents

436.289 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.29628 214.6
[M+Na]+ 459.27822 225.8
[M+NH4]+ 454.32282 220.5
[M+K]+ 475.25216 217.6
[M-H]- 435.28172 217.3
[M+Na-2H]- 457.26367 219.2
[M]+ 436.28845 216.8
[M]- 436.28955 216.8
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