CID 24208971

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

Structural Information

Molecular Formula
C18H21NO4
SMILES
CC1=C(C(=CN1C2=CC=CC=C2C(C)C)C(=O)OC)C(=O)OC
InChI
InChI=1S/C18H21NO4/c1-11(2)13-8-6-7-9-15(13)19-10-14(17(20)22-4)16(12(19)3)18(21)23-5/h6-11H,1-5H3
InChIKey
QKGDYFLHBUZHJK-UHFFFAOYSA-N
Compound name
dimethyl 2-methyl-1-(2-propan-2-ylphenyl)pyrrole-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

315.14706 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.15434 174.2
[M+Na]+ 338.13628 185.7
[M+NH4]+ 333.18088 179.8
[M+K]+ 354.11022 182.9
[M-H]- 314.13978 175.5
[M+Na-2H]- 336.12173 178.6
[M]+ 315.14651 176.0
[M]- 315.14761 176.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.