CID 10158163

Schembl6815224

Structural Information

Molecular Formula
C21H16FN5OS
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)N=CN4)F
InChI
InChI=1S/C21H16FN5OS/c22-17-4-2-1-3-16(17)20(28)25-13-5-7-14(8-6-13)26-21(29)27-15-9-10-18-19(11-15)24-12-23-18/h1-12H,(H,23,24)(H,25,28)(H2,26,27,29)
InChIKey
SHJJDOSAGUTXIM-UHFFFAOYSA-N
Compound name
N-[4-(3H-benzimidazol-5-ylcarbamothioylamino)phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

405.10596 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.11324 188.6
[M+Na]+ 428.09518 196.1
[M-H]- 404.09868 194.9
[M+NH4]+ 423.13978 198.3
[M+K]+ 444.06912 187.6
[M+H-H2O]+ 388.10322 178.5
[M+HCOO]- 450.10416 205.6
[M+CH3COO]- 464.11981 197.3
[M+Na-2H]- 426.08063 192.3
[M]+ 405.10541 187.5
[M]- 405.10651 187.5
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