CID 3805297

765285-05-0

Structural Information

Molecular Formula
C22H17F3N2O3S
SMILES
C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)SCC(=O)NC3=CC=C(C=C3)OC(F)(F)F)O
InChI
InChI=1S/C22H17F3N2O3S/c23-22(24,25)30-18-9-5-17(6-10-18)27-21(29)14-31-19-11-7-16(8-12-19)26-13-15-3-1-2-4-20(15)28/h1-13,28H,14H2,(H,27,29)
InChIKey
BLYFWSRLWCELBW-UHFFFAOYSA-N
Compound name
2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

446.0912 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.09848 201.4
[M+Na]+ 469.08042 207.4
[M-H]- 445.08392 206.6
[M+NH4]+ 464.12502 209.7
[M+K]+ 485.05436 200.4
[M+H-H2O]+ 429.08846 188.8
[M+HCOO]- 491.08940 216.4
[M+CH3COO]- 505.10505 230.7
[M+Na-2H]- 467.06587 202.7
[M]+ 446.09065 200.9
[M]- 446.09175 200.9
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