CID 26675

2-ethyl-1-(1-(2-morpholinoethyl)-2-pyrrolyl)-1-butanone hydrochloride

Structural Information

Molecular Formula
C16H26N2O2
SMILES
CCC(CC)C(=O)C1=CC=CN1CCN2CCOCC2
InChI
InChI=1S/C16H26N2O2/c1-3-14(4-2)16(19)15-6-5-7-18(15)9-8-17-10-12-20-13-11-17/h5-7,14H,3-4,8-13H2,1-2H3
InChIKey
PFZLSKZPEWOSQA-UHFFFAOYSA-N
Compound name
2-ethyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.19943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.206706 170.1
[M+Na]+ 301.188648 173.3
[M-H]- 277.192154 173.2
[M+NH4]+ 296.233253 183.3
[M+K]+ 317.162588 171.9
[M+H-H2O]+ 261.196690 161.1
[M+HCOO]- 323.197631 185.3
[M+CH3COO]- 337.213281 200.3
[M+Na-2H]- 299.174096 169.0
[M]+ 278.19888142 169.3
[M]- 278.19997858 169.3
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.