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 178.1
[M+Na]+ 349.15228 181.2
[M-H]- 325.15578 184.4
[M+NH4]+ 344.19688 188.4
[M+K]+ 365.12622 178.5
[M+H-H2O]+ 309.16032 167.8
[M+HCOO]- 371.16126 193.9
[M+CH3COO]- 385.17691 206.5
[M+Na-2H]- 347.13773 177.6
[M]+ 326.16251 176.2
[M]- 326.16361 176.2
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.