CID 49798

Brn 2761728

Structural Information

Molecular Formula
C20H23NO2
SMILES
COC1=C(C=C2CCCC2=C1)CCNC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C20H23NO2/c1-23-19-14-17-9-5-8-16(17)13-18(19)10-11-21-20(22)12-15-6-3-2-4-7-15/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,21,22)
InChIKey
OPCNJDDBDMXFSP-UHFFFAOYSA-N
Compound name
N-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethyl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.17288 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18016 174.9
[M+Na]+ 332.16210 180.0
[M-H]- 308.16560 181.8
[M+NH4]+ 327.20670 191.9
[M+K]+ 348.13604 175.3
[M+H-H2O]+ 292.17014 166.9
[M+HCOO]- 354.17108 197.0
[M+CH3COO]- 368.18673 208.4
[M+Na-2H]- 330.14755 177.0
[M]+ 309.17233 175.6
[M]- 309.17343 175.6
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