CID 5277454

(3e)-5-(4-phenoxyphenyl)-3-(2-thienylmethylene)-1h-pyrrol-2-one

Structural Information

Molecular Formula
C21H15NO2S
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C/C(=C\C4=CC=CS4)/C(=O)N3
InChI
InChI=1S/C21H15NO2S/c23-21-16(13-19-7-4-12-25-19)14-20(22-21)15-8-10-18(11-9-15)24-17-5-2-1-3-6-17/h1-14H,(H,22,23)/b16-13+
InChIKey
CAMCAJMLHFCIAY-DTQAZKPQSA-N
Compound name
(3E)-5-(4-phenoxyphenyl)-3-(thiophen-2-ylmethylidene)-1H-pyrrol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.08234 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.08962 182.1
[M+Na]+ 368.07156 191.0
[M-H]- 344.07506 193.5
[M+NH4]+ 363.11616 197.3
[M+K]+ 384.04550 183.7
[M+H-H2O]+ 328.07960 174.4
[M+HCOO]- 390.08054 200.6
[M+CH3COO]- 404.09619 193.3
[M+Na-2H]- 366.05701 179.3
[M]+ 345.08179 182.7
[M]- 345.08289 182.7
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.