CID 17510

Brn 1024996

Structural Information

Molecular Formula
C22H27NO2
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)(CCCN4CCOCC4)O
InChI
InChI=1S/C22H27NO2/c24-22(12-5-13-23-14-16-25-17-15-23)20-8-3-1-6-18(20)10-11-19-7-2-4-9-21(19)22/h1-4,6-9,24H,5,10-17H2
InChIKey
SQAJAUJUEOSKJX-UHFFFAOYSA-N
Compound name
2-(3-morpholin-4-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

337.2042 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 182.4
[M+Na]+ 360.19342 185.9
[M-H]- 336.19692 188.2
[M+NH4]+ 355.23802 195.1
[M+K]+ 376.16736 184.3
[M+H-H2O]+ 320.20146 173.8
[M+HCOO]- 382.20240 194.2
[M+CH3COO]- 396.21805 190.3
[M+Na-2H]- 358.17887 187.0
[M]+ 337.20365 176.0
[M]- 337.20475 176.0
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

patents stripe