CID 15954798

Schembl6815767

Structural Information

Molecular Formula
C22H18Cl2FN3O3S
SMILES
COC1=CC(=C(C=C1NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl)Cl)OC
InChI
InChI=1S/C22H18Cl2FN3O3S/c1-30-19-11-20(31-2)18(10-15(19)24)28-22(32)26-12-7-8-17(14(23)9-12)27-21(29)13-5-3-4-6-16(13)25/h3-11H,1-2H3,(H,27,29)(H2,26,28,32)
InChIKey
CASPJLHFQLZFRR-UHFFFAOYSA-N
Compound name
N-[2-chloro-4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

493.043 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.05028 209.9
[M+Na]+ 516.03222 217.6
[M-H]- 492.03572 218.1
[M+NH4]+ 511.07682 218.4
[M+K]+ 532.00616 210.0
[M+H-H2O]+ 476.04026 201.3
[M+HCOO]- 538.04120 219.2
[M+CH3COO]- 552.05685 241.9
[M+Na-2H]- 514.01767 208.2
[M]+ 493.04245 216.3
[M]- 493.04355 216.3
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