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]+ 303.133926 168.6
[M+Na]+ 325.115868 176.5
[M-H]- 301.119374 173.5
[M+NH4]+ 320.160473 182.9
[M+K]+ 341.089808 174.8
[M+H-H2O]+ 285.123910 160.3
[M+HCOO]- 347.124851 188.8
[M+CH3COO]- 361.140501 204.6
[M+Na-2H]- 323.101316 167.8
[M]+ 302.12610142 173.8
[M]- 302.12719858 173.8
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.