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]+ 344.18562 182.3
[M+Na]+ 366.16756 189.3
[M-H]- 342.17106 188.2
[M+NH4]+ 361.21216 196.5
[M+K]+ 382.14150 187.0
[M+H-H2O]+ 326.17560 174.5
[M+HCOO]- 388.17654 202.4
[M+CH3COO]- 402.19219 214.9
[M+Na-2H]- 364.15301 178.7
[M]+ 343.17779 188.8
[M]- 343.17889 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.