CID 117023

Acetamide, n-[[5-amino-2-(methylamino)phenyl]methyl]-2,2,2-trifluoro-n-methyl-

Structural Information

Molecular Formula
C11H14F3N3O
SMILES
CNC1=C(C=C(C=C1)N)CN(C)C(=O)C(F)(F)F
InChI
InChI=1S/C11H14F3N3O/c1-16-9-4-3-8(15)5-7(9)6-17(2)10(18)11(12,13)14/h3-5,16H,6,15H2,1-2H3
InChIKey
ZFICTJPREGUDOV-UHFFFAOYSA-N
Compound name
N-[[5-amino-2-(methylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1089 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.116176 155.8
[M+Na]+ 284.098118 162.5
[M-H]- 260.101624 156.6
[M+NH4]+ 279.142723 172.2
[M+K]+ 300.072058 160.7
[M+H-H2O]+ 244.106160 146.4
[M+HCOO]- 306.107101 177.2
[M+CH3COO]- 320.122751 206.7
[M+Na-2H]- 282.083566 158.2
[M]+ 261.10835142 150.9
[M]- 261.10944858 150.9
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

No patent data available for this compound.