CID 89526

21621-38-5

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

1
Patents

274.2045 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.21178 169.4
[M+Na]+ 297.19372 173.7
[M-H]- 273.19722 168.9
[M+NH4]+ 292.23832 184.1
[M+K]+ 313.16766 168.8
[M+H-H2O]+ 257.20176 161.0
[M+HCOO]- 319.20270 179.3
[M+CH3COO]- 333.21835 199.4
[M+Na-2H]- 295.17917 174.3
[M]+ 274.20395 164.6
[M]- 274.20505 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