CID 165587904

874141-82-9

Structural Information

Molecular Formula
C15H16Cl2N2O4
SMILES
CCOC(=O)C1=NN(C(C1)(C)C(=O)OC)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H16Cl2N2O4/c1-4-23-13(20)11-8-15(2,14(21)22-3)19(18-11)12-6-5-9(16)7-10(12)17/h5-7H,4,8H2,1-3H3
InChIKey
RQRDOFDRJLETQM-UHFFFAOYSA-N
Compound name
3-O-ethyl 5-O-methyl 1-(2,4-dichlorophenyl)-5-methyl-4H-pyrazole-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.0487 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.05598 173.0
[M+Na]+ 381.03792 183.4
[M-H]- 357.04142 177.4
[M+NH4]+ 376.08252 188.7
[M+K]+ 397.01186 179.0
[M+H-H2O]+ 341.04596 166.8
[M+HCOO]- 403.04690 183.5
[M+CH3COO]- 417.06255 209.6
[M+Na-2H]- 379.02337 172.7
[M]+ 358.04815 180.7
[M]- 358.04925 180.7
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.