CID 10156795

Schembl6811909

Structural Information

Molecular Formula
C20H18FN3O2S
SMILES
CC(C1=CC=CO1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C20H18FN3O2S/c1-13(18-7-4-12-26-18)22-20(27)24-15-10-8-14(9-11-15)23-19(25)16-5-2-3-6-17(16)21/h2-13H,1H3,(H,23,25)(H2,22,24,27)
InChIKey
NFHXKERZNANDJF-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-[1-(furan-2-yl)ethylcarbamothioylamino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

383.11038 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.11766 190.9
[M+Na]+ 406.09960 195.5
[M-H]- 382.10310 200.0
[M+NH4]+ 401.14420 202.1
[M+K]+ 422.07354 191.1
[M+H-H2O]+ 366.10764 181.3
[M+HCOO]- 428.10858 209.2
[M+CH3COO]- 442.12423 222.7
[M+Na-2H]- 404.08505 190.5
[M]+ 383.10983 190.4
[M]- 383.11093 190.4
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