CID 357133

Nsc615023

Structural Information

Molecular Formula
C22H23F3N2O2
SMILES
CCCCCCCC(=O)C1=CC(=C(C=C1)O)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F
InChI
InChI=1S/C22H23F3N2O2/c1-2-3-4-5-6-7-19(28)14-8-11-20(29)16(12-14)21-26-17-10-9-15(22(23,24)25)13-18(17)27-21/h8-13,29H,2-7H2,1H3,(H,26,27)
InChIKey
QCRQTWKVGRZETL-UHFFFAOYSA-N
Compound name
1-[4-hydroxy-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]octan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.17117 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.17845 197.5
[M+Na]+ 427.16039 205.9
[M-H]- 403.16389 196.3
[M+NH4]+ 422.20499 207.4
[M+K]+ 443.13433 197.7
[M+H-H2O]+ 387.16843 186.3
[M+HCOO]- 449.16937 210.0
[M+CH3COO]- 463.18502 220.0
[M+Na-2H]- 425.14584 196.7
[M]+ 404.17062 196.9
[M]- 404.17172 196.9
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

No patent data available for this compound.