CID 2917889

4-[4-(benzyloxy)-3-methylbenzoyl]-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C29H30N2O5
SMILES
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)O)O)OCC4=CC=CC=C4
InChI
InChI=1S/C29H30N2O5/c1-19-17-22(11-14-24(19)36-18-20-7-5-4-6-8-20)27(33)25-26(21-9-12-23(32)13-10-21)31(16-15-30(2)3)29(35)28(25)34/h4-14,17,26,32-33H,15-16,18H2,1-3H3
InChIKey
BHWMWFBVDVGHFU-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-4-[hydroxy-(3-methyl-4-phenylmethoxyphenyl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.21548 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.22276 219.0
[M+Na]+ 509.20470 223.3
[M-H]- 485.20820 229.3
[M+NH4]+ 504.24930 225.1
[M+K]+ 525.17864 218.2
[M+H-H2O]+ 469.21274 208.1
[M+HCOO]- 531.21368 236.1
[M+CH3COO]- 545.22933 242.5
[M+Na-2H]- 507.19015 212.8
[M]+ 486.21493 220.2
[M]- 486.21603 220.2
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.