CID 24208982

Diethyl 1-(2-isopropylphenyl)-2-methyl-1h-pyrrole-3,4-dicarboxylate

Structural Information

Molecular Formula
C20H25NO4
SMILES
CCOC(=O)C1=CN(C(=C1C(=O)OCC)C)C2=CC=CC=C2C(C)C
InChI
InChI=1S/C20H25NO4/c1-6-24-19(22)16-12-21(14(5)18(16)20(23)25-7-2)17-11-9-8-10-15(17)13(3)4/h8-13H,6-7H2,1-5H3
InChIKey
AOIZVPNOPKBKCH-UHFFFAOYSA-N
Compound name
diethyl 2-methyl-1-(2-propan-2-ylphenyl)pyrrole-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.17834 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.185616 182.3
[M+Na]+ 366.167558 189.3
[M-H]- 342.171064 188.2
[M+NH4]+ 361.212163 196.5
[M+K]+ 382.141498 187.0
[M+H-H2O]+ 326.175600 174.5
[M+HCOO]- 388.176541 202.4
[M+CH3COO]- 402.192191 214.9
[M+Na-2H]- 364.153006 178.7
[M]+ 343.17779142 188.8
[M]- 343.17888858 188.8
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.