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]+ 356.18562 183.0
[M+Na]+ 378.16756 187.0
[M-H]- 354.17106 191.1
[M+NH4]+ 373.21216 195.8
[M+K]+ 394.14150 189.3
[M+H-H2O]+ 338.17560 176.0
[M+HCOO]- 400.17654 202.3
[M+CH3COO]- 414.19219 218.2
[M+Na-2H]- 376.15301 184.8
[M]+ 355.17779 182.4
[M]- 355.17889 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.