CID 15955717

N-[4-[(3-chloro-5-hydroxy-phenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide

Structural Information

Molecular Formula
C20H15ClFN3O2S
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=CC(=C3)Cl)O)F
InChI
InChI=1S/C20H15ClFN3O2S/c21-12-9-15(11-16(26)10-12)25-20(28)24-14-7-5-13(6-8-14)23-19(27)17-3-1-2-4-18(17)22/h1-11,26H,(H,23,27)(H2,24,25,28)
InChIKey
MRWRININGHYNKS-UHFFFAOYSA-N
Compound name
N-[4-[(3-chloro-5-hydroxyphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.05576 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.06304 192.3
[M+Na]+ 438.04498 198.9
[M-H]- 414.04848 199.4
[M+NH4]+ 433.08958 202.3
[M+K]+ 454.01892 190.6
[M+H-H2O]+ 398.05302 183.4
[M+HCOO]- 460.05396 205.6
[M+CH3COO]- 474.06961 225.8
[M+Na-2H]- 436.03043 192.9
[M]+ 415.05521 192.5
[M]- 415.05631 192.5
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

No patent data available for this compound.