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]+ 279.20671 170.1
[M+Na]+ 301.18865 173.3
[M-H]- 277.19215 173.2
[M+NH4]+ 296.23325 183.3
[M+K]+ 317.16259 171.9
[M+H-H2O]+ 261.19669 161.1
[M+HCOO]- 323.19763 185.3
[M+CH3COO]- 337.21328 200.3
[M+Na-2H]- 299.17410 169.0
[M]+ 278.19888 169.3
[M]- 278.19998 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.