CID 5092306

765285-03-8

Structural Information

Molecular Formula
C21H17BrN2O2S
SMILES
C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)SCC(=O)NC3=CC=C(C=C3)Br)O
InChI
InChI=1S/C21H17BrN2O2S/c22-16-5-7-18(8-6-16)24-21(26)14-27-19-11-9-17(10-12-19)23-13-15-3-1-2-4-20(15)25/h1-13,25H,14H2,(H,24,26)
InChIKey
WZKCMIFEDFBTBL-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

440.0194 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.02668 186.5
[M+Na]+ 463.00862 195.2
[M-H]- 439.01212 197.8
[M+NH4]+ 458.05322 199.3
[M+K]+ 478.98256 180.8
[M+H-H2O]+ 423.01666 183.2
[M+HCOO]- 485.01760 204.1
[M+CH3COO]- 499.03325 225.3
[M+Na-2H]- 460.99407 190.4
[M]+ 440.01885 206.3
[M]- 440.01995 206.3
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

patents stripe