CID 15955667

Schembl6819622

Structural Information

Molecular Formula
C23H22FN3O2S
SMILES
CC(C1=CC=CC=C1OC)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C23H22FN3O2S/c1-15(18-7-4-6-10-21(18)29-2)25-23(30)27-17-13-11-16(12-14-17)26-22(28)19-8-3-5-9-20(19)24/h3-15H,1-2H3,(H,26,28)(H2,25,27,30)
InChIKey
KIYOLSYEMCSBFQ-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-[1-(2-methoxyphenyl)ethylcarbamothioylamino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

423.14166 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.14894 199.8
[M+Na]+ 446.13088 203.5
[M-H]- 422.13438 207.4
[M+NH4]+ 441.17548 208.7
[M+K]+ 462.10482 197.4
[M+H-H2O]+ 406.13892 188.8
[M+HCOO]- 468.13986 216.8
[M+CH3COO]- 482.15551 232.8
[M+Na-2H]- 444.11633 199.3
[M]+ 423.14111 199.1
[M]- 423.14221 199.1
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