CID 10271959

Schembl6811526

Structural Information

Molecular Formula
C21H19FN4OS
SMILES
CC(C1=CC=NC=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C21H19FN4OS/c1-14(15-10-12-23-13-11-15)24-21(28)26-17-8-6-16(7-9-17)25-20(27)18-4-2-3-5-19(18)22/h2-14H,1H3,(H,25,27)(H2,24,26,28)
InChIKey
NXQYDRDCCHELPZ-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-(1-pyridin-4-ylethylcarbamothioylamino)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

394.12637 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.13365 190.6
[M+Na]+ 417.11559 194.8
[M-H]- 393.11909 197.0
[M+NH4]+ 412.16019 199.3
[M+K]+ 433.08953 187.9
[M+H-H2O]+ 377.12363 179.4
[M+HCOO]- 439.12457 207.0
[M+CH3COO]- 453.14022 226.2
[M+Na-2H]- 415.10104 192.1
[M]+ 394.12582 188.0
[M]- 394.12692 188.0
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