CID 75481796

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

Structural Information

Molecular Formula
C16H18N2
SMILES
CC1CNC2=CC=CC=C2N1CC3=CC=CC=C3
InChI
InChI=1S/C16H18N2/c1-13-11-17-15-9-5-6-10-16(15)18(13)12-14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3
InChIKey
XWLZXBWZCSXKFQ-UHFFFAOYSA-N
Compound name
4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.147 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15428 156.3
[M+Na]+ 261.13622 162.9
[M-H]- 237.13972 159.0
[M+NH4]+ 256.18082 171.3
[M+K]+ 277.11016 156.7
[M+H-H2O]+ 221.14426 147.1
[M+HCOO]- 283.14520 172.7
[M+CH3COO]- 297.16085 166.7
[M+Na-2H]- 259.12167 162.6
[M]+ 238.14645 151.8
[M]- 238.14755 151.8
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.