CID 4067268

Ethyl 5-(dimethylcarbamoyl)-2,4-dimethyl-1h-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CCOC(=O)C1=C(NC(=C1C)C(=O)N(C)C)C
InChI
InChI=1S/C12H18N2O3/c1-6-17-12(16)9-7(2)10(13-8(9)3)11(15)14(4)5/h13H,6H2,1-5H3
InChIKey
BJNQKERRLJONMX-UHFFFAOYSA-N
Compound name
ethyl 5-(dimethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.13174 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13902 155.8
[M+Na]+ 261.12096 164.3
[M+NH4]+ 256.16556 161.2
[M+K]+ 277.09490 163.0
[M-H]- 237.12446 155.0
[M+Na-2H]- 259.10641 157.7
[M]+ 238.13119 156.3
[M]- 238.13229 156.3
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.

Patent stripe

No patent data available for this compound.