CID 23552

7163-54-4

Structural Information

Molecular Formula
C20H19NO
SMILES
C1CCC2=C(C3=CC=CC=C3N=C2CC1)OC4=CC=CC=C4
InChI
InChI=1S/C20H19NO/c1-3-9-15(10-4-1)22-20-16-11-5-2-6-13-18(16)21-19-14-8-7-12-17(19)20/h1,3-4,7-10,12,14H,2,5-6,11,13H2
InChIKey
VHGPVVDFPDHNJF-UHFFFAOYSA-N
Compound name
11-phenoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.14667 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.15395 167.9
[M+Na]+ 312.13589 173.7
[M-H]- 288.13939 175.3
[M+NH4]+ 307.18049 182.8
[M+K]+ 328.10983 171.7
[M+H-H2O]+ 272.14393 160.5
[M+HCOO]- 334.14487 185.4
[M+CH3COO]- 348.16052 178.2
[M+Na-2H]- 310.12134 174.7
[M]+ 289.14612 163.3
[M]- 289.14722 163.3
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.