CID 26797

Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-, 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]+ 327.170336 178.1
[M+Na]+ 349.152278 181.2
[M-H]- 325.155784 184.4
[M+NH4]+ 344.196883 188.4
[M+K]+ 365.126218 178.5
[M+H-H2O]+ 309.160320 167.8
[M+HCOO]- 371.161261 193.9
[M+CH3COO]- 385.176911 206.5
[M+Na-2H]- 347.137726 177.6
[M]+ 326.16251142 176.2
[M]- 326.16360858 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.