CID 15955510

Schembl6815673

Structural Information

Molecular Formula
C20H16ClFN4OS
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)N)Cl)F
InChI
InChI=1S/C20H16ClFN4OS/c21-16-11-14(9-10-18(16)23)26-20(28)25-13-7-5-12(6-8-13)24-19(27)15-3-1-2-4-17(15)22/h1-11H,23H2,(H,24,27)(H2,25,26,28)
InChIKey
IYVPPVGHOCLOTD-UHFFFAOYSA-N
Compound name
N-[4-[(4-amino-3-chlorophenyl)carbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

414.07175 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.07903 193.7
[M+Na]+ 437.06097 200.2
[M-H]- 413.06447 201.5
[M+NH4]+ 432.10557 203.9
[M+K]+ 453.03491 191.7
[M+H-H2O]+ 397.06901 184.4
[M+HCOO]- 459.06995 208.6
[M+CH3COO]- 473.08560 230.5
[M+Na-2H]- 435.04642 194.2
[M]+ 414.07120 192.7
[M]- 414.07230 192.7
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