CID 5277455

(3e)-1-benzyl-3-(4-chlorobenzylidene)-5-(4-phenoxyphenyl)-1,3-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C30H22ClNO2
SMILES
C1=CC=C(C=C1)CN2C(=C/C(=C\C3=CC=C(C=C3)Cl)/C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5
InChI
InChI=1S/C30H22ClNO2/c31-26-15-11-22(12-16-26)19-25-20-29(32(30(25)33)21-23-7-3-1-4-8-23)24-13-17-28(18-14-24)34-27-9-5-2-6-10-27/h1-20H,21H2/b25-19+
InChIKey
GQKZKQJAEUTLOM-NCELDCMTSA-N
Compound name
(3E)-1-benzyl-3-[(4-chlorophenyl)methylidene]-5-(4-phenoxyphenyl)pyrrol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

463.1339 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.14118 217.4
[M+Na]+ 486.12312 225.1
[M-H]- 462.12662 231.0
[M+NH4]+ 481.16772 225.6
[M+K]+ 502.09706 215.1
[M+H-H2O]+ 446.13116 204.7
[M+HCOO]- 508.13210 233.5
[M+CH3COO]- 522.14775 225.8
[M+Na-2H]- 484.10857 214.9
[M]+ 463.13335 218.9
[M]- 463.13445 218.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.