CID 15955493

Schembl6816164

Structural Information

Molecular Formula
C22H19ClF2N4OS
SMILES
CN(C)C1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3F)F)Cl
InChI
InChI=1S/C22H19ClF2N4OS/c1-29(2)19-11-10-15(12-16(19)23)28-22(31)27-14-8-6-13(7-9-14)26-21(30)20-17(24)4-3-5-18(20)25/h3-12H,1-2H3,(H,26,30)(H2,27,28,31)
InChIKey
WVFUZCTUHDICBJ-UHFFFAOYSA-N
Compound name
N-[4-[[3-chloro-4-(dimethylamino)phenyl]carbamothioylamino]phenyl]-2,6-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

460.09363 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.10091 206.1
[M+Na]+ 483.08285 212.5
[M-H]- 459.08635 214.3
[M+NH4]+ 478.12745 215.4
[M+K]+ 499.05679 205.0
[M+H-H2O]+ 443.09089 195.1
[M+HCOO]- 505.09183 220.1
[M+CH3COO]- 519.10748 243.6
[M+Na-2H]- 481.06830 204.5
[M]+ 460.09308 207.4
[M]- 460.09418 207.4
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