CID 3051194

Brn 2780353

Structural Information

Molecular Formula
C22H27NO4
SMILES
COC1=C(C=C(C=C1)CC(=O)NCCC2=C(C=C3CCCC3=C2)OC)OC
InChI
InChI=1S/C22H27NO4/c1-25-19-8-7-15(11-21(19)27-3)12-22(24)23-10-9-18-13-16-5-4-6-17(16)14-20(18)26-2/h7-8,11,13-14H,4-6,9-10,12H2,1-3H3,(H,23,24)
InChIKey
JKODQFZQLCDEES-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-N-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

369.194 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.20128 189.8
[M+Na]+ 392.18322 195.3
[M-H]- 368.18672 197.0
[M+NH4]+ 387.22782 204.7
[M+K]+ 408.15716 191.8
[M+H-H2O]+ 352.19126 181.5
[M+HCOO]- 414.19220 211.5
[M+CH3COO]- 428.20785 221.0
[M+Na-2H]- 390.16867 189.8
[M]+ 369.19345 194.8
[M]- 369.19455 194.8
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