CID 24209042

Diisopropyl 1-(4-acetylphenyl)-1h-pyrazole-3,4-dicarboxylate

Structural Information

Molecular Formula
C19H22N2O5
SMILES
CC(C)OC(=O)C1=CN(N=C1C(=O)OC(C)C)C2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C19H22N2O5/c1-11(2)25-18(23)16-10-21(20-17(16)19(24)26-12(3)4)15-8-6-14(7-9-15)13(5)22/h6-12H,1-5H3
InChIKey
QEILCFVKACBPSP-UHFFFAOYSA-N
Compound name
dipropan-2-yl 1-(4-acetylphenyl)pyrazole-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.15286 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.16014 182.2
[M+Na]+ 381.14208 188.2
[M-H]- 357.14558 186.8
[M+NH4]+ 376.18668 193.7
[M+K]+ 397.11602 187.1
[M+H-H2O]+ 341.15012 173.7
[M+HCOO]- 403.15106 199.8
[M+CH3COO]- 417.16671 216.6
[M+Na-2H]- 379.12753 177.9
[M]+ 358.15231 188.0
[M]- 358.15341 188.0
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.