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 199.6
[M+Na]+ 448.17306 209.4
[M-H]- 424.17656 206.1
[M+NH4]+ 443.21766 214.2
[M+K]+ 464.14700 204.9
[M+H-H2O]+ 408.18110 192.4
[M+HCOO]- 470.18204 213.1
[M+CH3COO]- 484.19769 231.8
[M+Na-2H]- 446.15851 196.8
[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.