CID 3065473

1h-pyrazole, 1-(4-ethoxy-3,5-dimethoxybenzoyl)-3,5-dimethyl-

Structural Information

Molecular Formula
C16H20N2O4
SMILES
CCOC1=C(C=C(C=C1OC)C(=O)N2C(=CC(=N2)C)C)OC
InChI
InChI=1S/C16H20N2O4/c1-6-22-15-13(20-4)8-12(9-14(15)21-5)16(19)18-11(3)7-10(2)17-18/h7-9H,6H2,1-5H3
InChIKey
NENMBVQLWYILRX-UHFFFAOYSA-N
Compound name
(3,5-dimethylpyrazol-1-yl)-(4-ethoxy-3,5-dimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1423 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14958 171.5
[M+Na]+ 327.13152 184.1
[M+NH4]+ 322.17612 177.0
[M+K]+ 343.10546 180.7
[M-H]- 303.13502 172.7
[M+Na-2H]- 325.11697 176.3
[M]+ 304.14175 173.4
[M]- 304.14285 173.4
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.