CID 117650397

5-fluoro cumyl-pica

Structural Information

Molecular Formula
C23H27FN2O
SMILES
CC(C)(C1=CC=CC=C1)NC(=O)C2=CN(C3=CC=CC=C32)CCCCCF
InChI
InChI=1S/C23H27FN2O/c1-23(2,18-11-5-3-6-12-18)25-22(27)20-17-26(16-10-4-9-15-24)21-14-8-7-13-19(20)21/h3,5-8,11-14,17H,4,9-10,15-16H2,1-2H3,(H,25,27)
InChIKey
ZJCYQNSYQBCKOD-UHFFFAOYSA-N
Compound name
1-(5-fluoropentyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

3
Patents

366.21075 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.218026 191.9
[M+Na]+ 389.199968 198.1
[M-H]- 365.203474 196.5
[M+NH4]+ 384.244573 205.4
[M+K]+ 405.173908 191.7
[M+H-H2O]+ 349.208010 182.0
[M+HCOO]- 411.208951 211.5
[M+CH3COO]- 425.224601 220.2
[M+Na-2H]- 387.185416 194.5
[M]+ 366.21020142 194.0
[M]- 366.21129858 194.0
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