CID 15955516

Schembl6811409

Structural Information

Molecular Formula
C21H18FN3OS
SMILES
CC1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C21H18FN3OS/c1-14-5-4-6-17(13-14)25-21(27)24-16-11-9-15(10-12-16)23-20(26)18-7-2-3-8-19(18)22/h2-13H,1H3,(H,23,26)(H2,24,25,27)
InChIKey
JDSXJNVEUVIDCB-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-[(3-methylphenyl)carbamothioylamino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

379.11545 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.12273 187.7
[M+Na]+ 402.10467 193.1
[M-H]- 378.10817 195.8
[M+NH4]+ 397.14927 198.7
[M+K]+ 418.07861 185.9
[M+H-H2O]+ 362.11271 177.2
[M+HCOO]- 424.11365 206.3
[M+CH3COO]- 438.12930 223.9
[M+Na-2H]- 400.09012 189.0
[M]+ 379.11490 185.6
[M]- 379.11600 185.6
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