CID 39585

50280-02-9

Structural Information

Molecular Formula
C20H24N2O3
SMILES
CN1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)CC5CCCC5)OCO4
InChI
InChI=1S/C20H24N2O3/c1-21-7-6-16-15(11-21)14-9-18-19(25-12-24-18)10-17(14)22(16)20(23)8-13-4-2-3-5-13/h9-10,13H,2-8,11-12H2,1H3
InChIKey
SWFMLZFRYCKDRZ-UHFFFAOYSA-N
Compound name
2-cyclopentyl-1-(4-methyl-12,14-dioxa-4,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.17868 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.185956 180.1
[M+Na]+ 363.167898 187.2
[M-H]- 339.171404 188.2
[M+NH4]+ 358.212503 196.5
[M+K]+ 379.141838 184.7
[M+H-H2O]+ 323.175940 174.2
[M+HCOO]- 385.176881 193.5
[M+CH3COO]- 399.192531 190.5
[M+Na-2H]- 361.153346 177.1
[M]+ 340.17813142 181.0
[M]- 340.17922858 181.0
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

No patent data available for this compound.