CID 15955483

Schembl6810824

Structural Information

Molecular Formula
C19H17FN4OS2
SMILES
CC(C1=NC=CS1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C19H17FN4OS2/c1-12(18-21-10-11-27-18)22-19(26)24-14-8-6-13(7-9-14)23-17(25)15-4-2-3-5-16(15)20/h2-12H,1H3,(H,23,25)(H2,22,24,26)
InChIKey
HHFJNIYKTRCGSG-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-[1-(1,3-thiazol-2-yl)ethylcarbamothioylamino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

400.0828 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.09008 188.2
[M+Na]+ 423.07202 193.6
[M-H]- 399.07552 194.9
[M+NH4]+ 418.11662 199.1
[M+K]+ 439.04596 186.2
[M+H-H2O]+ 383.08006 178.7
[M+HCOO]- 445.08100 200.7
[M+CH3COO]- 459.09665 196.4
[M+Na-2H]- 421.05747 187.4
[M]+ 400.08225 187.2
[M]- 400.08335 187.2
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