CID 57401

Centphenaquin

Structural Information

Molecular Formula
C24H27N3
SMILES
C1CCC2=C(C3=CC=CC=C3N=C2CC1)N4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C24H27N3/c1-3-9-19(10-4-1)26-15-17-27(18-16-26)24-20-11-5-2-6-13-22(20)25-23-14-8-7-12-21(23)24/h1,3-4,7-10,12,14H,2,5-6,11,13,15-18H2
InChIKey
KVTMKACXBCKXRR-UHFFFAOYSA-N
Compound name
11-(4-phenylpiperazin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

357.2205 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.22778 194.7
[M+Na]+ 380.20972 208.6
[M+NH4]+ 375.25432 203.3
[M+K]+ 396.18366 199.2
[M-H]- 356.21322 201.2
[M+Na-2H]- 378.19517 202.5
[M]+ 357.21995 198.8
[M]- 357.22105 198.8
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

No patent data available for this compound.