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

0
Patents

337.2042 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.211476 182.4
[M+Na]+ 360.193418 185.9
[M-H]- 336.196924 188.2
[M+NH4]+ 355.238023 195.1
[M+K]+ 376.167358 184.3
[M+H-H2O]+ 320.201460 173.8
[M+HCOO]- 382.202401 194.2
[M+CH3COO]- 396.218051 190.3
[M+Na-2H]- 358.178866 187.0
[M]+ 337.20365142 176.0
[M]- 337.20474858 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