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 168.6
[M+Na]+ 325.11587 176.5
[M-H]- 301.11937 173.5
[M+NH4]+ 320.16047 182.9
[M+K]+ 341.08981 174.8
[M+H-H2O]+ 285.12391 160.3
[M+HCOO]- 347.12485 188.8
[M+CH3COO]- 361.14050 204.6
[M+Na-2H]- 323.10132 167.8
[M]+ 302.12610 173.8
[M]- 302.12720 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.