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]+ 305.149576 169.3
[M+Na]+ 327.131518 179.2
[M-H]- 303.135024 174.6
[M+NH4]+ 322.176123 184.2
[M+K]+ 343.105458 177.0
[M+H-H2O]+ 287.139560 161.1
[M+HCOO]- 349.140501 191.2
[M+CH3COO]- 363.156151 206.7
[M+Na-2H]- 325.116966 169.3
[M]+ 304.14175142 177.2
[M]- 304.14284858 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.