CID 89526

Brn 0960686

Structural Information

Molecular Formula
C17H26N2O
SMILES
CC(C)(CCN1CCN2C(C1)CCC3=CC=CC=C32)O
InChI
InChI=1S/C17H26N2O/c1-17(2,20)9-10-18-11-12-19-15(13-18)8-7-14-5-3-4-6-16(14)19/h3-6,15,20H,7-13H2,1-2H3
InChIKey
GRPWOXJJPTXYQU-UHFFFAOYSA-N
Compound name
4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)-2-methylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

274.2045 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.211776 169.4
[M+Na]+ 297.193718 173.7
[M-H]- 273.197224 168.9
[M+NH4]+ 292.238323 184.1
[M+K]+ 313.167658 168.8
[M+H-H2O]+ 257.201760 161.0
[M+HCOO]- 319.202701 179.3
[M+CH3COO]- 333.218351 199.4
[M+Na-2H]- 295.179166 174.3
[M]+ 274.20395142 164.6
[M]- 274.20504858 164.6
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