CID 3146984

3-hydroxy-4-[2-methyl-4-(prop-2-en-1-yloxy)benzoyl]-1-[3-(morpholin-4-yl)propyl]-5-phenyl-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C28H32N2O5
SMILES
CC1=C(C=CC(=C1)OCC=C)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=CC=C4)O
InChI
InChI=1S/C28H32N2O5/c1-3-16-35-22-10-11-23(20(2)19-22)26(31)24-25(21-8-5-4-6-9-21)30(28(33)27(24)32)13-7-12-29-14-17-34-18-15-29/h3-6,8-11,19,25,31H,1,7,12-18H2,2H3
InChIKey
ZFYLEMUAAUBINW-UHFFFAOYSA-N
Compound name
4-[hydroxy-(2-methyl-4-prop-2-enoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.2311 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.238376 218.7
[M+Na]+ 499.220318 221.6
[M-H]- 475.223824 226.8
[M+NH4]+ 494.264923 222.5
[M+K]+ 515.194258 216.0
[M+H-H2O]+ 459.228360 207.3
[M+HCOO]- 521.229301 229.8
[M+CH3COO]- 535.244951 235.7
[M+Na-2H]- 497.205766 211.4
[M]+ 476.23055142 216.5
[M]- 476.23164858 216.5
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.