CID 66799960

1-benzyl-decahydroquinoxaline

Structural Information

Molecular Formula
C15H22N2
SMILES
C1CCC2C(C1)NCCN2CC3=CC=CC=C3
InChI
InChI=1S/C15H22N2/c1-2-6-13(7-3-1)12-17-11-10-16-14-8-4-5-9-15(14)17/h1-3,6-7,14-16H,4-5,8-12H2
InChIKey
VQTUQZIOKKIGLU-UHFFFAOYSA-N
Compound name
4-benzyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

230.1783 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.185576 155.8
[M+Na]+ 253.167518 158.6
[M-H]- 229.171024 157.0
[M+NH4]+ 248.212123 170.5
[M+K]+ 269.141458 153.4
[M+H-H2O]+ 213.175560 146.3
[M+HCOO]- 275.176501 168.1
[M+CH3COO]- 289.192151 164.5
[M+Na-2H]- 251.152966 160.0
[M]+ 230.17775142 146.1
[M]- 230.17884858 146.1
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