CID 15955533

Schembl6819359

Structural Information

Molecular Formula
C21H15FN4OS2
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)SC=N4)F
InChI
InChI=1S/C21H15FN4OS2/c22-17-4-2-1-3-16(17)20(27)24-13-5-7-14(8-6-13)25-21(28)26-15-9-10-19-18(11-15)23-12-29-19/h1-12H,(H,24,27)(H2,25,26,28)
InChIKey
ZZYHJDUJBQWSRK-UHFFFAOYSA-N
Compound name
N-[4-(1,3-benzothiazol-5-ylcarbamothioylamino)phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

422.06714 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.07442 190.8
[M+Na]+ 445.05636 199.1
[M-H]- 421.05986 198.8
[M+NH4]+ 440.10096 202.2
[M+K]+ 461.03030 190.3
[M+H-H2O]+ 405.06440 181.9
[M+HCOO]- 467.06534 205.1
[M+CH3COO]- 481.08099 199.9
[M+Na-2H]- 443.04181 194.0
[M]+ 422.06659 192.1
[M]- 422.06769 192.1
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