CID 24208954

Dimethyl 1-(2-isopropylphenyl)-1h-pyrazole-3,4-dicarboxylate

Structural Information

Molecular Formula
C16H18N2O4
SMILES
CC(C)C1=CC=CC=C1N2C=C(C(=N2)C(=O)OC)C(=O)OC
InChI
InChI=1S/C16H18N2O4/c1-10(2)11-7-5-6-8-13(11)18-9-12(15(19)21-3)14(17-18)16(20)22-4/h5-10H,1-4H3
InChIKey
MGEPGOVLLDBHGW-UHFFFAOYSA-N
Compound name
dimethyl 1-(2-propan-2-ylphenyl)pyrazole-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.12665 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13393 169.5
[M+Na]+ 325.11587 180.8
[M+NH4]+ 320.16047 174.6
[M+K]+ 341.08981 178.6
[M-H]- 301.11937 170.0
[M+Na-2H]- 323.10132 174.2
[M]+ 302.12610 170.9
[M]- 302.12720 170.9
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.