CID 117394

27413-27-0

Structural Information

Molecular Formula
C20H25N3
SMILES
C1CC2=CC=CC=C2NC1CN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C20H25N3/c1-2-7-19(8-3-1)23-14-12-22(13-15-23)16-18-11-10-17-6-4-5-9-20(17)21-18/h1-9,18,21H,10-16H2
InChIKey
MFVCIOLUKKPQLX-UHFFFAOYSA-N
Compound name
2-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

307.20483 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.21211 176.6
[M+Na]+ 330.19405 179.5
[M-H]- 306.19755 179.3
[M+NH4]+ 325.23865 186.2
[M+K]+ 346.16799 171.9
[M+H-H2O]+ 290.20209 164.3
[M+HCOO]- 352.20303 187.0
[M+CH3COO]- 366.21868 183.5
[M+Na-2H]- 328.17950 179.8
[M]+ 307.20428 166.7
[M]- 307.20538 166.8
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