CID 15954882

Schembl6814787

Structural Information

Molecular Formula
C24H22ClN3O4S
SMILES
CC(=O)NC1=C(C=C(C=C1)NC(=S)NC2=CC(=C(C=C2OC)OC)Cl)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H22ClN3O4S/c1-14(29)26-19-10-9-16(11-17(19)23(30)15-7-5-4-6-8-15)27-24(33)28-20-12-18(25)21(31-2)13-22(20)32-3/h4-13H,1-3H3,(H,26,29)(H2,27,28,33)
InChIKey
LBBVCHPZOXWXDY-UHFFFAOYSA-N
Compound name
N-[2-benzoyl-4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

483.10196 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.10924 213.6
[M+Na]+ 506.09118 218.7
[M-H]- 482.09468 223.1
[M+NH4]+ 501.13578 221.2
[M+K]+ 522.06512 212.8
[M+H-H2O]+ 466.09922 204.4
[M+HCOO]- 528.10016 227.4
[M+CH3COO]- 542.11581 242.9
[M+Na-2H]- 504.07663 211.9
[M]+ 483.10141 219.6
[M]- 483.10251 219.6
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