CID 10272266

Schembl6814967

Structural Information

Molecular Formula
C20H18FN3OS2
SMILES
CC(C1=CSC=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C20H18FN3OS2/c1-13(14-10-11-27-12-14)22-20(26)24-16-8-6-15(7-9-16)23-19(25)17-4-2-3-5-18(17)21/h2-13H,1H3,(H,23,25)(H2,22,24,26)
InChIKey
JRQTYQXLIHTOJO-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-(1-thiophen-3-ylethylcarbamothioylamino)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

399.08752 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.09480 189.9
[M+Na]+ 422.07674 194.8
[M-H]- 398.08024 197.6
[M+NH4]+ 417.12134 202.1
[M+K]+ 438.05068 187.3
[M+H-H2O]+ 382.08478 180.8
[M+HCOO]- 444.08572 203.1
[M+CH3COO]- 458.10137 224.2
[M+Na-2H]- 420.06219 188.4
[M]+ 399.08697 188.7
[M]- 399.08807 188.7
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