CID 2113473

N-(2,3,4-trifluorophenyl)-2-({[(2,3,4-trifluorophenyl)carbamoyl]methyl}amino)acetamide hydrochloride

Structural Information

Molecular Formula
C16H11F6N3O2
SMILES
C1=CC(=C(C(=C1NC(=O)CNCC(=O)NC2=C(C(=C(C=C2)F)F)F)F)F)F
InChI
InChI=1S/C16H11F6N3O2/c17-7-1-3-9(15(21)13(7)19)24-11(26)5-23-6-12(27)25-10-4-2-8(18)14(20)16(10)22/h1-4,23H,5-6H2,(H,24,26)(H,25,27)
InChIKey
ABHCYGGDCHIELG-UHFFFAOYSA-N
Compound name
2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

391.07553 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.08281 183.9
[M+Na]+ 414.06475 192.8
[M-H]- 390.06825 183.6
[M+NH4]+ 409.10935 194.6
[M+K]+ 430.03869 186.9
[M+H-H2O]+ 374.07279 170.1
[M+HCOO]- 436.07373 202.6
[M+CH3COO]- 450.08938 229.9
[M+Na-2H]- 412.05020 181.4
[M]+ 391.07498 177.0
[M]- 391.07608 177.0
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

No patent data available for this compound.