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

25
Patents

210.11569 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.12297 146.8
[M+Na]+ 233.10491 153.0
[M-H]- 209.10841 148.2
[M+NH4]+ 228.14951 162.0
[M+K]+ 249.07885 146.4
[M+H-H2O]+ 193.11295 138.3
[M+HCOO]- 255.11389 162.5
[M+CH3COO]- 269.12954 157.1
[M+Na-2H]- 231.09036 154.6
[M]+ 210.11514 139.5
[M]- 210.11624 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.