CID 52083

N-allyl-n-phenyl-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C19H21NO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N(CC=C)C2=CC=CC=C2
InChI
InChI=1S/C19H21NO4/c1-5-11-20(15-9-7-6-8-10-15)19(21)14-12-16(22-2)18(24-4)17(13-14)23-3/h5-10,12-13H,1,11H2,2-4H3
InChIKey
QJBZPXAJCLTKHD-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-phenyl-N-prop-2-enylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.14706 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15434 176.9
[M+Na]+ 350.13628 183.3
[M-H]- 326.13978 184.9
[M+NH4]+ 345.18088 191.2
[M+K]+ 366.11022 181.5
[M+H-H2O]+ 310.14432 168.0
[M+HCOO]- 372.14526 201.3
[M+CH3COO]- 386.16091 215.6
[M+Na-2H]- 348.12173 178.6
[M]+ 327.14651 183.0
[M]- 327.14761 183.0
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.