CID 117365

27114-08-5

Structural Information

Molecular Formula
C21H25ClN2O2
SMILES
C1CC2=CC=CC=C2N3C1CN(CC3)CC(COC4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C21H25ClN2O2/c22-17-6-9-20(10-7-17)26-15-19(25)14-23-11-12-24-18(13-23)8-5-16-3-1-2-4-21(16)24/h1-4,6-7,9-10,18-19,25H,5,8,11-15H2
InChIKey
FZDAURCWVCNZIK-UHFFFAOYSA-N
Compound name
1-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)-3-(4-chlorophenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.16046 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16774 187.7
[M+Na]+ 395.14968 192.1
[M-H]- 371.15318 189.9
[M+NH4]+ 390.19428 198.5
[M+K]+ 411.12362 185.1
[M+H-H2O]+ 355.15772 177.3
[M+HCOO]- 417.15866 193.7
[M+CH3COO]- 431.17431 194.7
[M+Na-2H]- 393.13513 189.9
[M]+ 372.15991 185.4
[M]- 372.16101 185.4
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.