CID 15955426

Schembl6815881

Structural Information

Molecular Formula
C23H21ClFN3O3S
SMILES
CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2F)NC(=S)NC3=CC(=C(C=C3OC)OC)Cl
InChI
InChI=1S/C23H21ClFN3O3S/c1-13-10-14(26-22(29)15-6-4-5-7-17(15)25)8-9-18(13)27-23(32)28-19-11-16(24)20(30-2)12-21(19)31-3/h4-12H,1-3H3,(H,26,29)(H2,27,28,32)
InChIKey
MLQRHVUFKRFNLS-UHFFFAOYSA-N
Compound name
N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-3-methylphenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

473.09763 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.10491 210.2
[M+Na]+ 496.08685 217.2
[M-H]- 472.09035 218.8
[M+NH4]+ 491.13145 218.9
[M+K]+ 512.06079 210.1
[M+H-H2O]+ 456.09489 200.3
[M+HCOO]- 518.09583 224.0
[M+CH3COO]- 532.11148 241.4
[M+Na-2H]- 494.07230 208.4
[M]+ 473.09708 215.2
[M]- 473.09818 215.2
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