CID 2887382

2-ph-n-(2,2,2-trichloro-1-(((3-methoxyanilino)carbothioyl)amino)ethyl)acetamide

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 196.3
[M+Na]+ 468.00774 200.6
[M-H]- 444.01124 201.0
[M+NH4]+ 463.05234 206.5
[M+K]+ 483.98168 193.8
[M+H-H2O]+ 428.01578 191.0
[M+HCOO]- 490.01672 199.1
[M+CH3COO]- 504.03237 228.1
[M+Na-2H]- 465.99319 196.6
[M]+ 445.01797 200.3
[M]- 445.01907 200.3
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

No patent data available for this compound.