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]+ 262.11618 155.8
[M+Na]+ 284.09812 162.5
[M-H]- 260.10162 156.6
[M+NH4]+ 279.14272 172.2
[M+K]+ 300.07206 160.7
[M+H-H2O]+ 244.10616 146.4
[M+HCOO]- 306.10710 177.2
[M+CH3COO]- 320.12275 206.7
[M+Na-2H]- 282.08357 158.2
[M]+ 261.10835 150.9
[M]- 261.10945 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.