CID 2800576

Ccg-234957

Structural Information

Molecular Formula
C22H15N3O3S2
SMILES
C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)N3C(=CSC3=S)C4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C22H15N3O3S2/c26-21(16-8-3-1-4-9-16)23(18-11-5-2-6-12-18)24-20(15-30-22(24)29)17-10-7-13-19(14-17)25(27)28/h1-15H
InChIKey
KILZPYJXUXDOEV-UHFFFAOYSA-N
Compound name
N-[4-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazol-3-yl]-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

433.05548 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.06276 199.9
[M+Na]+ 456.04470 205.3
[M-H]- 432.04820 212.3
[M+NH4]+ 451.08930 208.9
[M+K]+ 472.01864 194.3
[M+H-H2O]+ 416.05274 194.4
[M+HCOO]- 478.05368 214.9
[M+CH3COO]- 492.06933 221.4
[M+Na-2H]- 454.03015 201.4
[M]+ 433.05493 199.5
[M]- 433.05603 199.5
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.