CID 494289

84319-81-3

Structural Information

Molecular Formula
C22H23NO4
SMILES
CCCCN1C(=O)C2C(C(C2C1=O)C3=CC=CC=C3O)C4=CC=CC=C4O
InChI
InChI=1S/C22H23NO4/c1-2-3-12-23-21(26)19-17(13-8-4-6-10-15(13)24)18(20(19)22(23)27)14-9-5-7-11-16(14)25/h4-11,17-20,24-25H,2-3,12H2,1H3
InChIKey
DRACQDOCSQYGGW-UHFFFAOYSA-N
Compound name
3-butyl-6,7-bis(2-hydroxyphenyl)-3-azabicyclo[3.2.0]heptane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.16272 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17000 185.2
[M+Na]+ 388.15194 191.7
[M-H]- 364.15544 192.0
[M+NH4]+ 383.19654 191.7
[M+K]+ 404.12588 188.9
[M+H-H2O]+ 348.15998 172.2
[M+HCOO]- 410.16092 200.6
[M+CH3COO]- 424.17657 217.7
[M+Na-2H]- 386.13739 182.3
[M]+ 365.16217 194.6
[M]- 365.16327 194.6
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.