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

9
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 178.7
[M+Na]+ 330.19405 193.3
[M+NH4]+ 325.23865 187.6
[M+K]+ 346.16799 183.4
[M-H]- 306.19755 184.7
[M+Na-2H]- 328.17950 187.2
[M]+ 307.20428 182.5
[M]- 307.20538 182.5
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