CID 3065502

Brn 6008710

Structural Information

Molecular Formula
C28H27NO2
SMILES
C1CCCC2=NC3=CC=CC=C3C(=C2CC1)OC4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C28H27NO2/c1-2-7-14-26-24(12-6-1)28(25-13-8-9-15-27(25)29-26)31-23-18-16-22(17-19-23)30-20-21-10-4-3-5-11-21/h3-5,8-11,13,15-19H,1-2,6-7,12,14,20H2
InChIKey
GNGJZDOFFYNLRC-UHFFFAOYSA-N
Compound name
12-(4-phenylmethoxyphenoxy)-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.2042 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.21148 179.8
[M+Na]+ 432.19342 183.1
[M-H]- 408.19692 183.3
[M+NH4]+ 427.23802 184.1
[M+K]+ 448.16736 180.6
[M+H-H2O]+ 392.20146 172.9
[M+HCOO]- 454.20240 186.3
[M+CH3COO]- 468.21805 182.2
[M+Na-2H]- 430.17887 179.0
[M]+ 409.20365 178.4
[M]- 409.20475 178.4
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.