CID 15955680

Schembl6819523

Structural Information

Molecular Formula
C23H21ClFN3O2S
SMILES
CC(C)OC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl
InChI
InChI=1S/C23H21ClFN3O2S/c1-14(2)30-21-12-11-17(13-19(21)24)28-23(31)27-16-9-7-15(8-10-16)26-22(29)18-5-3-4-6-20(18)25/h3-14H,1-2H3,(H,26,29)(H2,27,28,31)
InChIKey
YKFXQJYLHKBVHJ-UHFFFAOYSA-N
Compound name
N-[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

457.1027 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.10998 205.9
[M+Na]+ 480.09192 211.2
[M-H]- 456.09542 213.9
[M+NH4]+ 475.13652 214.7
[M+K]+ 496.06586 203.8
[M+H-H2O]+ 440.09996 196.1
[M+HCOO]- 502.10090 218.6
[M+CH3COO]- 516.11655 237.5
[M+Na-2H]- 478.07737 204.4
[M]+ 457.10215 208.3
[M]- 457.10325 208.3
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