CID 15955445

Schembl6819054

Structural Information

Molecular Formula
C20H16ClFN4OS
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NNC3=CC(=CC=C3)Cl)F
InChI
InChI=1S/C20H16ClFN4OS/c21-13-4-3-5-16(12-13)25-26-20(28)24-15-10-8-14(9-11-15)23-19(27)17-6-1-2-7-18(17)22/h1-12,25H,(H,23,27)(H2,24,26,28)
InChIKey
NFVKCYLHMKKVGM-UHFFFAOYSA-N
Compound name
N-[4-[(3-chloroanilino)carbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

414.07175 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.07903 192.2
[M+Na]+ 437.06097 197.9
[M-H]- 413.06447 200.2
[M+NH4]+ 432.10557 202.4
[M+K]+ 453.03491 189.6
[M+H-H2O]+ 397.06901 182.6
[M+HCOO]- 459.06995 207.8
[M+CH3COO]- 473.08560 229.7
[M+Na-2H]- 435.04642 194.5
[M]+ 414.07120 191.8
[M]- 414.07230 191.8
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

patents stripe