CID 52081

73664-68-3

Structural Information

Molecular Formula
C18H21NO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N(CC=C)C2C=CC=C2
InChI
InChI=1S/C18H21NO4/c1-5-10-19(14-8-6-7-9-14)18(20)13-11-15(21-2)17(23-4)16(12-13)22-3/h5-9,11-12,14H,1,10H2,2-4H3
InChIKey
SIPKIHWUIZUHLU-UHFFFAOYSA-N
Compound name
N-cyclopenta-2,4-dien-1-yl-3,4,5-trimethoxy-N-prop-2-enylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.14706 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.154336 174.0
[M+Na]+ 338.136278 180.7
[M-H]- 314.139784 182.4
[M+NH4]+ 333.180883 190.8
[M+K]+ 354.110218 179.2
[M+H-H2O]+ 298.144320 166.2
[M+HCOO]- 360.145261 199.6
[M+CH3COO]- 374.160911 212.4
[M+Na-2H]- 336.121726 174.0
[M]+ 315.14651142 180.6
[M]- 315.14760858 180.6
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

No patent data available for this compound.