CID 4109795

21990-97-6

Structural Information

Molecular Formula
C20H19N2O4
SMILES
C[N+]1=CC=CN1C2=CC(=CC(=C2C3=CC=CC=C3)C(=O)OC)C(=O)OC
InChI
InChI=1S/C20H19N2O4/c1-21-10-7-11-22(21)17-13-15(19(23)25-2)12-16(20(24)26-3)18(17)14-8-5-4-6-9-14/h4-13H,1-3H3/q+1
InChIKey
GMEYLDKEGKRTJT-UHFFFAOYSA-N
Compound name
dimethyl 5-(2-methylpyrazol-2-ium-1-yl)-4-phenylbenzene-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1345 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.14178 181.3
[M+Na]+ 374.12372 197.4
[M+NH4]+ 369.16832 188.2
[M+K]+ 390.09766 193.7
[M-H]- 350.12722 186.6
[M+Na-2H]- 372.10917 190.2
[M]+ 351.13395 185.3
[M]- 351.13505 185.3
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.