CID 3052833

69352-74-5

Structural Information

Molecular Formula
C21H21NO3
SMILES
COC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C=C2CN4CCOCC4
InChI
InChI=1S/C21H21NO3/c1-24-17-6-7-19-20(13-17)16(14-22-8-10-25-11-9-22)12-15-4-2-3-5-18(15)21(19)23/h2-7,12-13H,8-11,14H2,1H3
InChIKey
DYUYVNJARGTQEA-UHFFFAOYSA-N
Compound name
6-methoxy-9-(morpholin-4-ylmethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.15213 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.15941 178.4
[M+Na]+ 358.14135 185.6
[M-H]- 334.14485 187.0
[M+NH4]+ 353.18595 190.8
[M+K]+ 374.11529 185.7
[M+H-H2O]+ 318.14939 170.6
[M+HCOO]- 380.15033 195.1
[M+CH3COO]- 394.16598 188.8
[M+Na-2H]- 356.12680 183.9
[M]+ 335.15158 177.5
[M]- 335.15268 177.5
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.