CID 387373

Nsc681125

Structural Information

Molecular Formula
C16H12FN3O2
SMILES
C1=CC=C2C(=C1)N=C(C(=N2)NCC3=CC=C(C=C3)F)C(=O)O
InChI
InChI=1S/C16H12FN3O2/c17-11-7-5-10(6-8-11)9-18-15-14(16(21)22)19-12-3-1-2-4-13(12)20-15/h1-8H,9H2,(H,18,20)(H,21,22)
InChIKey
FZKNXZQHMDLSNA-UHFFFAOYSA-N
Compound name
3-[(4-fluorophenyl)methylamino]quinoxaline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.09137 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.09865 166.0
[M+Na]+ 320.08059 174.4
[M-H]- 296.08409 168.6
[M+NH4]+ 315.12519 178.2
[M+K]+ 336.05453 168.5
[M+H-H2O]+ 280.08863 155.5
[M+HCOO]- 342.08957 184.7
[M+CH3COO]- 356.10522 176.3
[M+Na-2H]- 318.06604 172.5
[M]+ 297.09082 164.6
[M]- 297.09192 164.6
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.