CID 62358390

Akos011643885

Structural Information

Molecular Formula
C14H12N4
SMILES
C1=CC=C2C(=C1)N=CC(=N2)NC3=CC=C(C=C3)N
InChI
InChI=1S/C14H12N4/c15-10-5-7-11(8-6-10)17-14-9-16-12-3-1-2-4-13(12)18-14/h1-9H,15H2,(H,17,18)
InChIKey
SXBISWSFFUYBNE-UHFFFAOYSA-N
Compound name
4-N-quinoxalin-2-ylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.1062 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.113476 150.9
[M+Na]+ 259.095418 159.3
[M-H]- 235.098924 155.6
[M+NH4]+ 254.140023 166.0
[M+K]+ 275.069358 153.6
[M+H-H2O]+ 219.103460 141.5
[M+HCOO]- 281.104401 173.9
[M+CH3COO]- 295.120051 162.7
[M+Na-2H]- 257.080866 161.1
[M]+ 236.10565142 148.3
[M]- 236.10674858 148.3
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.