CID 2887382

Cbmicro_046975

Structural Information

Molecular Formula
C18H18Cl3N3O2S
SMILES
COC1=CC=CC(=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C18H18Cl3N3O2S/c1-26-14-9-5-8-13(11-14)22-17(27)24-16(18(19,20)21)23-15(25)10-12-6-3-2-4-7-12/h2-9,11,16H,10H2,1H3,(H,23,25)(H2,22,24,27)
InChIKey
LARWFTASYLCLDB-UHFFFAOYSA-N
Compound name
2-phenyl-N-[2,2,2-trichloro-1-[(3-methoxyphenyl)carbamothioylamino]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.01852 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.02580 204.0
[M+Na]+ 468.00774 214.2
[M+NH4]+ 463.05234 210.4
[M+K]+ 483.98168 205.1
[M-H]- 444.01124 207.2
[M+Na-2H]- 465.99319 209.9
[M]+ 445.01797 207.4
[M]- 445.01907 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

No patent data available for this compound.