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 191.3
[M+Na]+ 380.20972 195.0
[M-H]- 356.21322 197.4
[M+NH4]+ 375.25432 200.2
[M+K]+ 396.18366 190.4
[M+H-H2O]+ 340.21776 178.9
[M+HCOO]- 402.21870 201.5
[M+CH3COO]- 416.23435 197.7
[M+Na-2H]- 378.19517 194.0
[M]+ 357.21995 181.1
[M]- 357.22105 181.1
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.