CID 16244593

1-benzyl-1,2,3,4-tetrahydroquinoxaline

Structural Information

Molecular Formula
C15H16N2
SMILES
C1CN(C2=CC=CC=C2N1)CC3=CC=CC=C3
InChI
InChI=1S/C15H16N2/c1-2-6-13(7-3-1)12-17-11-10-16-14-8-4-5-9-15(14)17/h1-9,16H,10-12H2
InChIKey
QDTKGICRPUUWCY-UHFFFAOYSA-N
Compound name
4-benzyl-2,3-dihydro-1H-quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

224.13135 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.138626 151.2
[M+Na]+ 247.120568 157.3
[M-H]- 223.124074 153.7
[M+NH4]+ 242.165173 166.5
[M+K]+ 263.094508 151.3
[M+H-H2O]+ 207.128610 142.0
[M+HCOO]- 269.129551 168.0
[M+CH3COO]- 283.145201 161.7
[M+Na-2H]- 245.106016 158.8
[M]+ 224.13080142 145.9
[M]- 224.13189858 145.9
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

patents stripe