CID 809827

3-cyano-1-(2-ethoxyphenyl)-n-(3-methylbutyl)-1h-pyrrole-2-carboxamide

Structural Information

Molecular Formula
C19H23N3O2
SMILES
CCOC1=CC=CC=C1N2C=CC(=C2C(=O)NCCC(C)C)C#N
InChI
InChI=1S/C19H23N3O2/c1-4-24-17-8-6-5-7-16(17)22-12-10-15(13-20)18(22)19(23)21-11-9-14(2)3/h5-8,10,12,14H,4,9,11H2,1-3H3,(H,21,23)
InChIKey
CTMCFMWTFYCHGF-UHFFFAOYSA-N
Compound name
3-cyano-1-(2-ethoxyphenyl)-N-(3-methylbutyl)pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.17902 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.186296 181.0
[M+Na]+ 348.168238 188.7
[M-H]- 324.171744 184.7
[M+NH4]+ 343.212843 193.5
[M+K]+ 364.142178 183.9
[M+H-H2O]+ 308.176280 165.5
[M+HCOO]- 370.177221 198.9
[M+CH3COO]- 384.192871 222.2
[M+Na-2H]- 346.153686 179.5
[M]+ 325.17847142 178.4
[M]- 325.17956858 178.4
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.