CID 211841

Brn 4850919

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CC1=NC2=C(O1)CCC3=CC=CC=C3C2=C4CCN(CC4)CCO
InChI
InChI=1S/C20H24N2O2/c1-14-21-20-18(24-14)7-6-15-4-2-3-5-17(15)19(20)16-8-10-22(11-9-16)12-13-23/h2-5,23H,6-13H2,1H3
InChIKey
SYKOAGQOXQQHFD-UHFFFAOYSA-N
Compound name
2-[4-(5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.18378 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 178.6
[M+Na]+ 347.17300 184.1
[M-H]- 323.17650 184.2
[M+NH4]+ 342.21760 191.2
[M+K]+ 363.14694 182.0
[M+H-H2O]+ 307.18104 170.4
[M+HCOO]- 369.18198 190.9
[M+CH3COO]- 383.19763 187.4
[M+Na-2H]- 345.15845 179.3
[M]+ 324.18323 172.9
[M]- 324.18433 172.9
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.