CID 3042223

3-pyridinecarboxamide, n-(2-amino-5-(trifluoromethyl)phenyl)-, dihydrochloride

Structural Information

Molecular Formula
C13H10F3N3O
SMILES
C1=CC(=CN=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N
InChI
InChI=1S/C13H10F3N3O/c14-13(15,16)9-3-4-10(17)11(6-9)19-12(20)8-2-1-5-18-7-8/h1-7H,17H2,(H,19,20)
InChIKey
UBQWMGRUZVYOPY-UHFFFAOYSA-N
Compound name
N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

281.0776 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.084876 159.4
[M+Na]+ 304.066818 167.4
[M-H]- 280.070324 160.9
[M+NH4]+ 299.111423 173.0
[M+K]+ 320.040758 162.5
[M+H-H2O]+ 264.074860 148.7
[M+HCOO]- 326.075801 178.9
[M+CH3COO]- 340.091451 202.5
[M+Na-2H]- 302.052266 164.2
[M]+ 281.07705142 153.1
[M]- 281.07814858 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.