CID 3148736

1-[3-(dimethylamino)propyl]-3-hydroxy-4-[3-methyl-4-(2-methylpropoxy)benzoyl]-5-phenyl-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C27H34N2O4
SMILES
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=CC=C3)O)OCC(C)C
InChI
InChI=1S/C27H34N2O4/c1-18(2)17-33-22-13-12-21(16-19(22)3)25(30)23-24(20-10-7-6-8-11-20)29(27(32)26(23)31)15-9-14-28(4)5/h6-8,10-13,16,18,24,30H,9,14-15,17H2,1-5H3
InChIKey
SUZPVNMPPWKSSN-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-5-phenylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.25186 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.25914 212.5
[M+Na]+ 473.24108 216.3
[M-H]- 449.24458 220.5
[M+NH4]+ 468.28568 221.4
[M+K]+ 489.21502 212.1
[M+H-H2O]+ 433.24912 202.8
[M+HCOO]- 495.25006 229.6
[M+CH3COO]- 509.26571 240.0
[M+Na-2H]- 471.22653 204.8
[M]+ 450.25131 215.2
[M]- 450.25241 215.2
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.