CID 737529

Pyrazole, 3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)-

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CC1=CC(=NN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C
InChI
InChI=1S/C15H18N2O4/c1-9-6-10(2)17(16-9)15(18)11-7-12(19-3)14(21-5)13(8-11)20-4/h6-8H,1-5H3
InChIKey
KUFQYQWVZDXHJN-UHFFFAOYSA-N
Compound name
(3,5-dimethylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

11
Patents

290.12665 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13393 164.7
[M+Na]+ 313.11587 175.0
[M-H]- 289.11937 170.1
[M+NH4]+ 308.16047 180.2
[M+K]+ 329.08981 173.1
[M+H-H2O]+ 273.12391 156.6
[M+HCOO]- 335.12485 186.9
[M+CH3COO]- 349.14050 203.8
[M+Na-2H]- 311.10132 165.2
[M]+ 290.12610 172.2
[M]- 290.12720 172.2
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.