CID 13790490

2-phenyl-1,2,3,4-tetrahydroquinoxaline

Structural Information

Molecular Formula
C14H14N2
SMILES
C1C(NC2=CC=CC=C2N1)C3=CC=CC=C3
InChI
InChI=1S/C14H14N2/c1-2-6-11(7-3-1)14-10-15-12-8-4-5-9-13(12)16-14/h1-9,14-16H,10H2
InChIKey
GMCNTPSVIZBYSH-UHFFFAOYSA-N
Compound name
2-phenyl-1,2,3,4-tetrahydroquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

210.11569 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.122966 146.8
[M+Na]+ 233.104908 153.0
[M-H]- 209.108414 148.2
[M+NH4]+ 228.149513 162.0
[M+K]+ 249.078848 146.4
[M+H-H2O]+ 193.112950 138.3
[M+HCOO]- 255.113891 162.5
[M+CH3COO]- 269.129541 157.1
[M+Na-2H]- 231.090356 154.6
[M]+ 210.11514142 139.5
[M]- 210.11623858 139.5
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