CID 4067268

13219-75-5

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]+ 239.139016 154.5
[M+Na]+ 261.120958 162.2
[M-H]- 237.124464 157.5
[M+NH4]+ 256.165563 173.0
[M+K]+ 277.094898 161.5
[M+H-H2O]+ 221.129000 148.2
[M+HCOO]- 283.129941 176.6
[M+CH3COO]- 297.145591 197.2
[M+Na-2H]- 259.106406 153.7
[M]+ 238.13119142 158.0
[M]- 238.13228858 158.0
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.