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

0
Patents

281.0776 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08488 159.4
[M+Na]+ 304.06682 167.4
[M-H]- 280.07032 160.9
[M+NH4]+ 299.11142 173.0
[M+K]+ 320.04076 162.5
[M+H-H2O]+ 264.07486 148.7
[M+HCOO]- 326.07580 178.9
[M+CH3COO]- 340.09145 202.5
[M+Na-2H]- 302.05227 164.2
[M]+ 281.07705 153.1
[M]- 281.07815 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.