CID 209856

2-(dibutylamino)-n-(2,5-dimethylpyrrol-1-yl)acetamide

Structural Information

Molecular Formula
C16H29N3O
SMILES
CCCCN(CCCC)CC(=O)NN1C(=CC=C1C)C
InChI
InChI=1S/C16H29N3O/c1-5-7-11-18(12-8-6-2)13-16(20)17-19-14(3)9-10-15(19)4/h9-10H,5-8,11-13H2,1-4H3,(H,17,20)
InChIKey
CMHSJYYALWXFDE-UHFFFAOYSA-N
Compound name
2-(dibutylamino)-N-(2,5-dimethylpyrrol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.23105 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.23833 172.9
[M+Na]+ 302.22027 177.4
[M-H]- 278.22377 175.9
[M+NH4]+ 297.26487 189.8
[M+K]+ 318.19421 175.6
[M+H-H2O]+ 262.22831 164.6
[M+HCOO]- 324.22925 196.4
[M+CH3COO]- 338.24490 212.0
[M+Na-2H]- 300.20572 172.3
[M]+ 279.23050 177.0
[M]- 279.23160 177.0
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.