CID 22022

5782-93-4

Structural Information

Molecular Formula
C18H22N2
SMILES
C1CCC2=C(C3=CC=CC=C3N=C2CC1)N4CCCC4
InChI
InChI=1S/C18H22N2/c1-2-8-14-16(10-3-1)19-17-11-5-4-9-15(17)18(14)20-12-6-7-13-20/h4-5,9,11H,1-3,6-8,10,12-13H2
InChIKey
ZHFMBIZGANOWHY-UHFFFAOYSA-N
Compound name
11-pyrrolidin-1-yl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.17828 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 165.7
[M+Na]+ 289.16750 177.0
[M+NH4]+ 284.21210 174.9
[M+K]+ 305.14144 171.2
[M-H]- 265.17100 170.0
[M+Na-2H]- 287.15295 171.6
[M]+ 266.17773 168.6
[M]- 266.17883 168.6
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.