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]+ 239.13902 154.5
[M+Na]+ 261.12096 162.2
[M-H]- 237.12446 157.5
[M+NH4]+ 256.16556 173.0
[M+K]+ 277.09490 161.5
[M+H-H2O]+ 221.12900 148.2
[M+HCOO]- 283.12994 176.6
[M+CH3COO]- 297.14559 197.2
[M+Na-2H]- 259.10641 153.7
[M]+ 238.13119 158.0
[M]- 238.13229 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.