CID 9885500

Schembl6814386

Structural Information

Molecular Formula
C19H15FN4OS
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC=NC=C3)F
InChI
InChI=1S/C19H15FN4OS/c20-17-4-2-1-3-16(17)18(25)22-13-5-7-14(8-6-13)23-19(26)24-15-9-11-21-12-10-15/h1-12H,(H,22,25)(H2,21,23,24,26)
InChIKey
ZQUZBUHGMVGSOC-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-(pyridin-4-ylcarbamothioylamino)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

366.09506 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.10234 181.8
[M+Na]+ 389.08428 187.3
[M-H]- 365.08778 188.6
[M+NH4]+ 384.12888 191.7
[M+K]+ 405.05822 180.1
[M+H-H2O]+ 349.09232 170.8
[M+HCOO]- 411.09326 200.0
[M+CH3COO]- 425.10891 190.6
[M+Na-2H]- 387.06973 185.3
[M]+ 366.09451 179.1
[M]- 366.09561 179.1
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