CID 26797

1-(2-benzoyl-1-pyrrolyl)-4-morpholinobutanone maleate

Structural Information

Molecular Formula
C19H22N2O3
SMILES
C1COCCN1CCC(=O)CN2C=CC=C2C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H22N2O3/c22-17(8-10-20-11-13-24-14-12-20)15-21-9-4-7-18(21)19(23)16-5-2-1-3-6-16/h1-7,9H,8,10-15H2
InChIKey
FEABLUOACCOOKQ-UHFFFAOYSA-N
Compound name
1-(2-benzoylpyrrol-1-yl)-4-morpholin-4-ylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.16306 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 178.3
[M+Na]+ 349.15228 189.6
[M+NH4]+ 344.19688 184.5
[M+K]+ 365.12622 185.4
[M-H]- 325.15578 182.8
[M+Na-2H]- 347.13773 184.4
[M]+ 326.16251 180.9
[M]- 326.16361 180.9
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.

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No patent data available for this compound.