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 187.2
[M+Na]+ 416.13049 195.2
[M-H]- 392.13399 188.4
[M+NH4]+ 411.17509 197.3
[M+K]+ 432.10443 189.2
[M+H-H2O]+ 376.13853 176.0
[M+HCOO]- 438.13947 205.1
[M+CH3COO]- 452.15512 225.2
[M+Na-2H]- 414.11594 190.4
[M]+ 393.14072 183.9
[M]- 393.14182 183.9
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