CID 53477386

1-(4-(trifluoromethyl)-2-(pyrrolidin-1-yl)benzyl)-3-(2,3-dihydro-2-oxo-1h-benzo[d]imidazol-4-yl)urea

Structural Information

Molecular Formula
C20H20F3N5O2
SMILES
C1CCN(C1)C2=C(C=CC(=C2)C(F)(F)F)CNC(=O)NC3=CC=CC4=C3NC(=O)N4
InChI
InChI=1S/C20H20F3N5O2/c21-20(22,23)13-7-6-12(16(10-13)28-8-1-2-9-28)11-24-18(29)25-14-4-3-5-15-17(14)27-19(30)26-15/h3-7,10H,1-2,8-9,11H2,(H2,24,25,29)(H2,26,27,30)
InChIKey
GUWJRCUFOIXCMK-UHFFFAOYSA-N
Compound name
1-(2-oxo-1,3-dihydrobenzimidazol-4-yl)-3-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

419.15692 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.16420 189.3
[M+Na]+ 442.14614 195.7
[M+NH4]+ 437.19074 191.7
[M+K]+ 458.12008 195.3
[M-H]- 418.14964 187.3
[M+Na-2H]- 440.13159 192.5
[M]+ 419.15637 188.9
[M]- 419.15747 188.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe