CID 6279124

Nsc268230

Structural Information

Molecular Formula
C23H27NO6
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NCC2CC3=CC(=C(C=C23)OC)OC
InChI
InChI=1S/C23H27NO6/c1-26-18-11-15-10-16(17(15)12-19(18)27-2)13-24-22(25)7-6-14-8-20(28-3)23(30-5)21(9-14)29-4/h6-9,11-12,16H,10,13H2,1-5H3,(H,24,25)/b7-6+
InChIKey
KWCVJXFIJROWLR-VOTSOKGWSA-N
Compound name
(E)-N-[(3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.18384 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.19112 198.7
[M+Na]+ 436.17306 203.6
[M-H]- 412.17656 205.7
[M+NH4]+ 431.21766 203.6
[M+K]+ 452.14700 204.9
[M+H-H2O]+ 396.18110 183.7
[M+HCOO]- 458.18204 218.6
[M+CH3COO]- 472.19769 233.3
[M+Na-2H]- 434.15851 198.0
[M]+ 413.18329 216.5
[M]- 413.18439 216.5
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.