CID 218729

(thienylidene-2 amino)-2 benzophenone [french]

Structural Information

Molecular Formula
C18H13NOS
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2N=CC3=CC=CS3
InChI
InChI=1S/C18H13NOS/c20-18(14-7-2-1-3-8-14)16-10-4-5-11-17(16)19-13-15-9-6-12-21-15/h1-13H
InChIKey
FDKHBDYKTIESRN-UHFFFAOYSA-N
Compound name
phenyl-[2-(thiophen-2-ylmethylideneamino)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.07178 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.07906 167.9
[M+Na]+ 314.06100 175.7
[M-H]- 290.06450 179.4
[M+NH4]+ 309.10560 185.7
[M+K]+ 330.03494 170.3
[M+H-H2O]+ 274.06904 159.9
[M+HCOO]- 336.06998 190.4
[M+CH3COO]- 350.08563 180.5
[M+Na-2H]- 312.04645 169.8
[M]+ 291.07123 170.0
[M]- 291.07233 170.0
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.