CID 109335

68399-99-5

Structural Information

Molecular Formula
C18H13ClF3N5O3
SMILES
CC(=O)C(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)N=NC3=C(C=CC(=C3)C(F)(F)F)Cl
InChI
InChI=1S/C18H13ClF3N5O3/c1-8(28)15(27-26-13-6-9(18(20,21)22)2-4-11(13)19)16(29)23-10-3-5-12-14(7-10)25-17(30)24-12/h2-7,15H,1H3,(H,23,29)(H2,24,25,30)
InChIKey
DZEAVLGCIUOLBY-UHFFFAOYSA-N
Compound name
2-[[2-chloro-5-(trifluoromethyl)phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

439.0659 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.07318 185.7
[M+Na]+ 462.05512 192.9
[M+NH4]+ 457.09972 187.6
[M+K]+ 478.02906 191.5
[M-H]- 438.05862 183.0
[M+Na-2H]- 460.04057 189.1
[M]+ 439.06535 185.4
[M]- 439.06645 185.4
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