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

5
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

literature stripe

Patent stripe

patents stripe