CID 117370

27114-12-1

Structural Information

Molecular Formula
C21H23FN2O
SMILES
C1CC2=CC=CC=C2N3C1CN(CC3)CCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H23FN2O/c22-18-8-5-17(6-9-18)21(25)11-12-23-13-14-24-19(15-23)10-7-16-3-1-2-4-20(16)24/h1-6,8-9,19H,7,10-15H2
InChIKey
DOHBWZBXSGIRIR-UHFFFAOYSA-N
Compound name
3-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)-1-(4-fluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

338.17944 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18672 182.3
[M+Na]+ 361.16866 186.8
[M-H]- 337.17216 184.6
[M+NH4]+ 356.21326 194.1
[M+K]+ 377.14260 180.0
[M+H-H2O]+ 321.17670 170.1
[M+HCOO]- 383.17764 193.2
[M+CH3COO]- 397.19329 189.8
[M+Na-2H]- 359.15411 184.3
[M]+ 338.17889 176.2
[M]- 338.17999 176.2
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