CID 15955566

Schembl6819270

Structural Information

Molecular Formula
C23H22FN3OS
SMILES
C1=CC=C(C=C1)CCCNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C23H22FN3OS/c24-21-11-5-4-10-20(21)22(28)26-18-12-14-19(15-13-18)27-23(29)25-16-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-15H,6,9,16H2,(H,26,28)(H2,25,27,29)
InChIKey
RGVPOCFBZKJNGE-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-(3-phenylpropylcarbamothioylamino)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

407.14676 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.15404 195.2
[M+Na]+ 430.13598 198.8
[M-H]- 406.13948 202.4
[M+NH4]+ 425.18058 204.7
[M+K]+ 446.10992 191.1
[M+H-H2O]+ 390.14402 184.1
[M+HCOO]- 452.14496 213.2
[M+CH3COO]- 466.16061 228.5
[M+Na-2H]- 428.12143 196.4
[M]+ 407.14621 193.3
[M]- 407.14731 193.3
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