CID 215104

Brn 1607759

Structural Information

Molecular Formula
C24H27NO6
SMILES
CC1C(=O)C2=C(C1=O)NC3=C(C2C4=CC(=C(C(=C4)OC)OC)OC)C(=O)CC(C3)(C)C
InChI
InChI=1S/C24H27NO6/c1-11-21(27)19-17(12-7-15(29-4)23(31-6)16(8-12)30-5)18-13(25-20(19)22(11)28)9-24(2,3)10-14(18)26/h7-8,11,17,25H,9-10H2,1-6H3
InChIKey
IOVAWMXPAKJJKL-UHFFFAOYSA-N
Compound name
2,6,6-trimethyl-9-(3,4,5-trimethoxyphenyl)-4,5,7,9-tetrahydrocyclopenta[b]quinoline-1,3,8-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.18384 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.19112 201.9
[M+Na]+ 448.17306 214.1
[M+NH4]+ 443.21766 208.9
[M+K]+ 464.14700 208.0
[M-H]- 424.17656 203.9
[M+Na-2H]- 446.15851 203.7
[M]+ 425.18329 204.2
[M]- 425.18439 204.2
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.