CID 168264922

Tng260

Structural Information

Molecular Formula
C20H18FN3O2S
SMILES
C[S@@](=N)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=C(C=C3)F)N
InChI
InChI=1S/C20H18FN3O2S/c1-27(23,26)17-9-4-14(5-10-17)20(25)24-19-12-15(6-11-18(19)22)13-2-7-16(21)8-3-13/h2-12,23H,22H2,1H3,(H,24,25)/t27-/m1/s1
InChIKey
JPFMYSJUFUEHBI-HHHXNRCGSA-N
Compound name
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(methylsulfonimidoyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

383.11038 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.11766 188.0
[M+Na]+ 406.09960 195.1
[M-H]- 382.10310 196.1
[M+NH4]+ 401.14420 198.6
[M+K]+ 422.07354 187.9
[M+H-H2O]+ 366.10764 177.9
[M+HCOO]- 428.10858 205.9
[M+CH3COO]- 442.12423 224.2
[M+Na-2H]- 404.08505 190.1
[M]+ 383.10983 185.7
[M]- 383.11093 185.7
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