CID 3065474

Brn 5982380

Structural Information

Molecular Formula
C15H17ClN2O4
SMILES
CC1=C(C(=NN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C)Cl
InChI
InChI=1S/C15H17ClN2O4/c1-8-13(16)9(2)18(17-8)15(19)10-6-11(20-3)14(22-5)12(7-10)21-4/h6-7H,1-5H3
InChIKey
DESMUKMRRZCSDV-UHFFFAOYSA-N
Compound name
(4-chloro-3,5-dimethylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.08768 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.09496 170.2
[M+Na]+ 347.07690 182.1
[M-H]- 323.08040 175.9
[M+NH4]+ 342.12150 185.5
[M+K]+ 363.05084 178.6
[M+H-H2O]+ 307.08494 162.9
[M+HCOO]- 369.08588 187.8
[M+CH3COO]- 383.10153 208.7
[M+Na-2H]- 345.06235 169.6
[M]+ 324.08713 180.2
[M]- 324.08823 180.2
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.