CID 15955522

Schembl6815426

Structural Information

Molecular Formula
C23H22FN3OS
SMILES
CC(C)C1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C23H22FN3OS/c1-15(2)16-6-5-7-19(14-16)27-23(29)26-18-12-10-17(11-13-18)25-22(28)20-8-3-4-9-21(20)24/h3-15H,1-2H3,(H,25,28)(H2,26,27,29)
InChIKey
NFWRSJIBUKAHPB-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-[(3-propan-2-ylphenyl)carbamothioylamino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

407.14676 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.15404 196.6
[M+Na]+ 430.13598 200.6
[M-H]- 406.13948 204.2
[M+NH4]+ 425.18058 206.2
[M+K]+ 446.10992 193.7
[M+H-H2O]+ 390.14402 185.8
[M+HCOO]- 452.14496 213.4
[M+CH3COO]- 466.16061 230.7
[M+Na-2H]- 428.12143 195.9
[M]+ 407.14621 194.5
[M]- 407.14731 194.5
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