CID 52083

73664-70-7

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]+ 328.154336 176.9
[M+Na]+ 350.136278 183.3
[M-H]- 326.139784 184.9
[M+NH4]+ 345.180883 191.2
[M+K]+ 366.110218 181.5
[M+H-H2O]+ 310.144320 168.0
[M+HCOO]- 372.145261 201.3
[M+CH3COO]- 386.160911 215.6
[M+Na-2H]- 348.121726 178.6
[M]+ 327.14651142 183.0
[M]- 327.14760858 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.