CID 3073988

154324-54-6

Structural Information

Molecular Formula
C21H34N4
SMILES
CCCCCCCCCCCC1=C2C(=NCCN2)C=C3C1=NCCN3
InChI
InChI=1S/C21H34N4/c1-2-3-4-5-6-7-8-9-10-11-17-20-18(22-12-14-24-20)16-19-21(17)25-15-13-23-19/h16,22,25H,2-15H2,1H3
InChIKey
ABGOMXPJDDDNKR-UHFFFAOYSA-N
Compound name
5-undecyl-2,3,4,7,8,9-hexahydropyrazino[2,3-g]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.27835 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.28563 189.9
[M+Na]+ 365.26757 193.7
[M-H]- 341.27107 184.7
[M+NH4]+ 360.31217 198.3
[M+K]+ 381.24151 185.0
[M+H-H2O]+ 325.27561 178.6
[M+HCOO]- 387.27655 198.5
[M+CH3COO]- 401.29220 195.2
[M+Na-2H]- 363.25302 193.4
[M]+ 342.27780 187.4
[M]- 342.27890 187.4
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.