CID 15955675

3-fluoro-n-[4-[1-(2-naphthyl)ethylcarbamothioylamino]phenyl]benzamide

Structural Information

Molecular Formula
C26H22FN3OS
SMILES
CC(C1=CC2=CC=CC=C2C=C1)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)F
InChI
InChI=1S/C26H22FN3OS/c1-17(19-10-9-18-5-2-3-6-20(18)15-19)28-26(32)30-24-13-11-23(12-14-24)29-25(31)21-7-4-8-22(27)16-21/h2-17H,1H3,(H,29,31)(H2,28,30,32)
InChIKey
CNSYONVFUYWCTI-UHFFFAOYSA-N
Compound name
3-fluoro-N-[4-(1-naphthalen-2-ylethylcarbamothioylamino)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.14676 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.15404 202.9
[M+Na]+ 466.13598 206.8
[M-H]- 442.13948 210.8
[M+NH4]+ 461.18058 211.7
[M+K]+ 482.10992 199.2
[M+H-H2O]+ 426.14402 191.9
[M+HCOO]- 488.14496 218.5
[M+CH3COO]- 502.16061 210.0
[M+Na-2H]- 464.12143 204.6
[M]+ 443.14621 200.8
[M]- 443.14731 200.8
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

No patent data available for this compound.