CID 3051196

Brn 2776054

Structural Information

Molecular Formula
C22H27NO3
SMILES
CC1=CC2=C(CCC2)C=C1CCNC(=O)CC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C22H27NO3/c1-15-11-18-5-4-6-19(18)14-17(15)9-10-23-22(24)13-16-7-8-20(25-2)21(12-16)26-3/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,23,24)
InChIKey
JMDGXXMPYPRWFP-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-N-[2-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

353.1991 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.20638 187.1
[M+Na]+ 376.18832 192.9
[M-H]- 352.19182 194.4
[M+NH4]+ 371.23292 202.8
[M+K]+ 392.16226 188.6
[M+H-H2O]+ 336.19636 179.1
[M+HCOO]- 398.19730 208.6
[M+CH3COO]- 412.21295 218.9
[M+Na-2H]- 374.17377 186.9
[M]+ 353.19855 190.8
[M]- 353.19965 190.8
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