CID 16729031

1-[2-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]benzimidazole

Structural Information

Molecular Formula
C23H19F3N2O
SMILES
C1=CC=C(C=C1)C(CN2C=NC3=CC=CC=C32)OCC4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C23H19F3N2O/c24-23(25,26)19-12-10-17(11-13-19)15-29-22(18-6-2-1-3-7-18)14-28-16-27-20-8-4-5-9-21(20)28/h1-13,16,22H,14-15H2
InChIKey
QLLFDEZSGQZACU-UHFFFAOYSA-N
Compound name
1-[2-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

396.14496 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.15224 194.0
[M+Na]+ 419.13418 202.2
[M-H]- 395.13768 198.1
[M+NH4]+ 414.17878 204.4
[M+K]+ 435.10812 194.4
[M+H-H2O]+ 379.14222 180.6
[M+HCOO]- 441.14316 209.9
[M+CH3COO]- 455.15881 202.6
[M+Na-2H]- 417.11963 196.8
[M]+ 396.14441 193.1
[M]- 396.14551 193.1
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.