CID 215136

Brn 2903430

Structural Information

Molecular Formula
C21H25NO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCCCC3=CC=CC=C23
InChI
InChI=1S/C21H25NO4/c1-24-18-12-15(13-19(25-2)20(18)26-3)21(23)22-17-11-7-5-9-14-8-4-6-10-16(14)17/h4,6,8,10,12-13,17H,5,7,9,11H2,1-3H3,(H,22,23)
InChIKey
QAYYMOACHQWLOS-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.17834 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.185616 183.0
[M+Na]+ 378.167558 187.0
[M-H]- 354.171064 191.1
[M+NH4]+ 373.212163 195.8
[M+K]+ 394.141498 189.3
[M+H-H2O]+ 338.175600 176.0
[M+HCOO]- 400.176541 202.3
[M+CH3COO]- 414.192191 218.2
[M+Na-2H]- 376.153006 184.8
[M]+ 355.17779142 182.4
[M]- 355.17888858 182.4
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.