CID 3051193

Brn 2781735

Structural Information

Molecular Formula
C22H27NO5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NCCC2=C(C=C3CCCC3=C2)OC
InChI
InChI=1S/C22H27NO5/c1-25-18-11-15-7-5-6-14(15)10-16(18)8-9-23-22(24)17-12-19(26-2)21(28-4)20(13-17)27-3/h10-13H,5-9H2,1-4H3,(H,23,24)
InChIKey
NWMIJZMOJVRUSM-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

385.18893 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.19621 193.1
[M+Na]+ 408.17815 204.2
[M+NH4]+ 403.22275 199.5
[M+K]+ 424.15209 199.4
[M-H]- 384.18165 196.6
[M+Na-2H]- 406.16360 197.2
[M]+ 385.18838 195.5
[M]- 385.18948 195.5
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

patents stripe