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 192.3
[M+Na]+ 408.17815 198.4
[M-H]- 384.18165 199.9
[M+NH4]+ 403.22275 206.7
[M+K]+ 424.15209 195.8
[M+H-H2O]+ 368.18619 184.1
[M+HCOO]- 430.18713 214.0
[M+CH3COO]- 444.20278 224.5
[M+Na-2H]- 406.16360 191.8
[M]+ 385.18838 199.2
[M]- 385.18948 199.2
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