CID 807264

3-(2-quinoxalinyl)aniline

Structural Information

Molecular Formula
C14H11N3
SMILES
C1=CC=C2C(=C1)N=CC(=N2)C3=CC(=CC=C3)N
InChI
InChI=1S/C14H11N3/c15-11-5-3-4-10(8-11)14-9-16-12-6-1-2-7-13(12)17-14/h1-9H,15H2
InChIKey
FTKCJWKPAZRHTL-UHFFFAOYSA-N
Compound name
3-quinoxalin-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

20
Patents

221.09529 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.102566 148.4
[M+Na]+ 244.084508 157.6
[M-H]- 220.088014 153.1
[M+NH4]+ 239.129113 164.4
[M+K]+ 260.058448 151.9
[M+H-H2O]+ 204.092550 139.2
[M+HCOO]- 266.093491 170.3
[M+CH3COO]- 280.109141 160.7
[M+Na-2H]- 242.069956 157.9
[M]+ 221.09474142 146.3
[M]- 221.09583858 146.3
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

patents stripe