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

35
Patents

224.13135 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13863 151.2
[M+Na]+ 247.12057 157.3
[M-H]- 223.12407 153.7
[M+NH4]+ 242.16517 166.5
[M+K]+ 263.09451 151.3
[M+H-H2O]+ 207.12861 142.0
[M+HCOO]- 269.12955 168.0
[M+CH3COO]- 283.14520 161.7
[M+Na-2H]- 245.10602 158.8
[M]+ 224.13080 145.9
[M]- 224.13190 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