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]+ 291.133926 164.7
[M+Na]+ 313.115868 175.0
[M-H]- 289.119374 170.1
[M+NH4]+ 308.160473 180.2
[M+K]+ 329.089808 173.1
[M+H-H2O]+ 273.123910 156.6
[M+HCOO]- 335.124851 186.9
[M+CH3COO]- 349.140501 203.8
[M+Na-2H]- 311.101316 165.2
[M]+ 290.12610142 172.2
[M]- 290.12719858 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

literature stripe

Patent stripe

patents stripe