CID 727043

4-{[(e)-2-thienylmethylidene]amino}phenyl phenylacetate

Structural Information

Molecular Formula
C19H15NO2S
SMILES
C1=CC=C(C=C1)CC(=O)OC2=CC=C(C=C2)N=CC3=CC=CS3
InChI
InChI=1S/C19H15NO2S/c21-19(13-15-5-2-1-3-6-15)22-17-10-8-16(9-11-17)20-14-18-7-4-12-23-18/h1-12,14H,13H2
InChIKey
JKKRSJFVZLWASV-UHFFFAOYSA-N
Compound name
[4-(thiophen-2-ylmethylideneamino)phenyl] 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

321.08234 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08962 176.2
[M+Na]+ 344.07156 183.4
[M-H]- 320.07506 187.5
[M+NH4]+ 339.11616 192.7
[M+K]+ 360.04550 178.3
[M+H-H2O]+ 304.07960 167.7
[M+HCOO]- 366.08054 198.5
[M+CH3COO]- 380.09619 188.1
[M+Na-2H]- 342.05701 177.6
[M]+ 321.08179 179.8
[M]- 321.08289 179.8
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.