CID 266954

Nsc106029

Structural Information

Molecular Formula
C24H27NO6
SMILES
CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C=C(C(=O)C=C3)OCC=C)OC)OC)OC
InChI
InChI=1S/C24H27NO6/c1-6-11-31-20-13-17-16(8-10-19(20)27)22-15(7-9-18(17)25-14(2)26)12-21(28-3)23(29-4)24(22)30-5/h6,8,10,12-13,18H,1,7,9,11H2,2-5H3,(H,25,26)
InChIKey
SQRXXHUEVDHZGY-UHFFFAOYSA-N
Compound name
N-(1,2,3-trimethoxy-10-oxo-9-prop-2-enoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.18384 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.19112 200.5
[M+Na]+ 448.17306 207.9
[M-H]- 424.17656 208.9
[M+NH4]+ 443.21766 211.5
[M+K]+ 464.14700 211.8
[M+H-H2O]+ 408.18110 197.2
[M+HCOO]- 470.18204 217.3
[M+CH3COO]- 484.19769 235.6
[M+Na-2H]- 446.15851 200.4
[M]+ 425.18329 203.3
[M]- 425.18439 203.3
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.