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]+ 372.18056 188.9
[M+Na]+ 394.16250 199.9
[M+NH4]+ 389.20710 194.0
[M+K]+ 410.13644 194.5
[M-H]- 370.16600 191.5
[M+Na-2H]- 392.14795 194.3
[M]+ 371.17273 191.0
[M]- 371.17383 191.0
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.