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]+ 426.191116 199.6
[M+Na]+ 448.173058 209.4
[M-H]- 424.176564 206.1
[M+NH4]+ 443.217663 214.2
[M+K]+ 464.146998 204.9
[M+H-H2O]+ 408.181100 192.4
[M+HCOO]- 470.182041 213.1
[M+CH3COO]- 484.197691 231.8
[M+Na-2H]- 446.158506 196.8
[M]+ 425.18329142 204.2
[M]- 425.18438858 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.