CID 15954917

Schembl6815142

Structural Information

Molecular Formula
C18H20FN3OS
SMILES
CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(C)C2=CC=C(C=C2)F
InChI
InChI=1S/C18H20FN3OS/c1-3-17(23)21-15-8-10-16(11-9-15)22-18(24)20-12(2)13-4-6-14(19)7-5-13/h4-12H,3H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKey
SIQPNKLVSCWWGH-UHFFFAOYSA-N
Compound name
N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

345.1311 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.13838 180.4
[M+Na]+ 368.12032 184.4
[M-H]- 344.12382 185.1
[M+NH4]+ 363.16492 193.0
[M+K]+ 384.09426 178.9
[M+H-H2O]+ 328.12836 170.8
[M+HCOO]- 390.12930 197.5
[M+CH3COO]- 404.14495 218.7
[M+Na-2H]- 366.10577 179.9
[M]+ 345.13055 178.6
[M]- 345.13165 178.6
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