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 169.3
[M+Na]+ 327.13152 179.2
[M-H]- 303.13502 174.6
[M+NH4]+ 322.17612 184.2
[M+K]+ 343.10546 177.0
[M+H-H2O]+ 287.13956 161.1
[M+HCOO]- 349.14050 191.2
[M+CH3COO]- 363.15615 206.7
[M+Na-2H]- 325.11697 169.3
[M]+ 304.14175 177.2
[M]- 304.14285 177.2
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.