CID 4100937

882080-08-2

Structural Information

Molecular Formula
C21H16ClFN2O2S
SMILES
C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)F)Cl)O
InChI
InChI=1S/C21H16ClFN2O2S/c22-18-11-16(7-10-19(18)23)25-21(27)13-28-17-8-5-15(6-9-17)24-12-14-3-1-2-4-20(14)26/h1-12,26H,13H2,(H,25,27)
InChIKey
MTLRRJMMBZUJBG-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-fluorophenyl)-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

414.06052 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.06780 194.1
[M+Na]+ 437.04974 201.9
[M-H]- 413.05324 202.4
[M+NH4]+ 432.09434 205.2
[M+K]+ 453.02368 193.5
[M+H-H2O]+ 397.05778 184.5
[M+HCOO]- 459.05872 208.5
[M+CH3COO]- 473.07437 225.3
[M+Na-2H]- 435.03519 194.7
[M]+ 414.05997 197.5
[M]- 414.06107 197.5
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