CID 90287

23869-84-3

Structural Information

Molecular Formula
C15H12F3N3O3
SMILES
C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)NCC(=O)O)C(F)(F)F
InChI
InChI=1S/C15H12F3N3O3/c16-15(17,18)9-3-1-4-10(7-9)21-13-11(5-2-6-19-13)14(24)20-8-12(22)23/h1-7H,8H2,(H,19,21)(H,20,24)(H,22,23)
InChIKey
VSQYJUFDGJFASD-UHFFFAOYSA-N
Compound name
2-[[2-[3-(trifluoromethyl)anilino]pyridine-3-carbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.08307 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.090346 172.5
[M+Na]+ 362.072288 178.7
[M-H]- 338.075794 172.8
[M+NH4]+ 357.116893 182.8
[M+K]+ 378.046228 174.3
[M+H-H2O]+ 322.080330 161.3
[M+HCOO]- 384.081271 189.9
[M+CH3COO]- 398.096921 211.2
[M+Na-2H]- 360.057736 175.9
[M]+ 339.08252142 167.5
[M]- 339.08361858 167.5
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.