CID 118796439

Fub-144

Structural Information

Molecular Formula
C23H24FNO
SMILES
CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)F)C
InChI
InChI=1S/C23H24FNO/c1-22(2)21(23(22,3)4)20(26)18-14-25(19-8-6-5-7-17(18)19)13-15-9-11-16(24)12-10-15/h5-12,14,21H,13H2,1-4H3
InChIKey
UXOFEILQVZFLRH-UHFFFAOYSA-N
Compound name
[1-[(4-fluorophenyl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

13
Patents

349.1842 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.19148 180.4
[M+Na]+ 372.17342 193.1
[M-H]- 348.17692 190.0
[M+NH4]+ 367.21802 194.7
[M+K]+ 388.14736 187.2
[M+H-H2O]+ 332.18146 172.5
[M+HCOO]- 394.18240 200.4
[M+CH3COO]- 408.19805 192.2
[M+Na-2H]- 370.15887 182.1
[M]+ 349.18365 186.7
[M]- 349.18475 186.7
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