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]+ 316.15434 174.0
[M+Na]+ 338.13628 180.7
[M-H]- 314.13978 182.4
[M+NH4]+ 333.18088 190.8
[M+K]+ 354.11022 179.2
[M+H-H2O]+ 298.14432 166.2
[M+HCOO]- 360.14526 199.6
[M+CH3COO]- 374.16091 212.4
[M+Na-2H]- 336.12173 174.0
[M]+ 315.14651 180.6
[M]- 315.14761 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.