CID 32078

23771-15-5

Structural Information

Molecular Formula
C21H25NO5
SMILES
CC(CC1=CC=CC=C1)NC(=O)CC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C21H25NO5/c1-14(10-15-8-6-5-7-9-15)22-20(24)13-17(23)16-11-18(25-2)21(27-4)19(12-16)26-3/h5-9,11-12,14H,10,13H2,1-4H3,(H,22,24)
InChIKey
GQDHTEQNGCEKCU-UHFFFAOYSA-N
Compound name
3-oxo-N-(1-phenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.17328 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.180556 189.1
[M+Na]+ 394.162498 193.6
[M-H]- 370.166004 195.3
[M+NH4]+ 389.207103 200.5
[M+K]+ 410.136438 191.9
[M+H-H2O]+ 354.170540 179.9
[M+HCOO]- 416.171481 210.4
[M+CH3COO]- 430.187131 222.1
[M+Na-2H]- 392.147946 188.2
[M]+ 371.17273142 194.8
[M]- 371.17382858 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

No patent data available for this compound.