CID 53477385

Schembl2481916

Structural Information

Molecular Formula
C18H18F3N5O2
SMILES
CN(C)C1=C(C=CC(=C1)C(F)(F)F)CNC(=O)NC2=CC=CC3=C2NC(=O)N3
InChI
InChI=1S/C18H18F3N5O2/c1-26(2)14-8-11(18(19,20)21)7-6-10(14)9-22-16(27)23-12-4-3-5-13-15(12)25-17(28)24-13/h3-8H,9H2,1-2H3,(H2,22,23,27)(H2,24,25,28)
InChIKey
GUTYAMHQYWODRM-UHFFFAOYSA-N
Compound name
1-[[2-(dimethylamino)-4-(trifluoromethyl)phenyl]methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

393.14127 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.14855 181.8
[M+Na]+ 416.13049 188.7
[M+NH4]+ 411.17509 184.3
[M+K]+ 432.10443 187.0
[M-H]- 392.13399 179.6
[M+Na-2H]- 414.11594 185.3
[M]+ 393.14072 181.5
[M]- 393.14182 181.5
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