CID 15954815

N-[4-[(3,5-diiodo-2,4-dimethyl-phenyl)carbamothioylamino]phenyl]acetamide

Structural Information

Molecular Formula
C17H17I2N3OS
SMILES
CC1=C(C(=C(C=C1NC(=S)NC2=CC=C(C=C2)NC(=O)C)I)C)I
InChI
InChI=1S/C17H17I2N3OS/c1-9-14(18)8-15(10(2)16(9)19)22-17(24)21-13-6-4-12(5-7-13)20-11(3)23/h4-8H,1-3H3,(H,20,23)(H2,21,22,24)
InChIKey
KZQOEQLPARZBJJ-UHFFFAOYSA-N
Compound name
N-[4-[(3,5-diiodo-2,4-dimethylphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.91815 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.92543 204.8
[M+Na]+ 587.90737 196.6
[M-H]- 563.91087 198.7
[M+NH4]+ 582.95197 207.9
[M+K]+ 603.88131 203.3
[M+H-H2O]+ 547.91541 190.4
[M+HCOO]- 609.91635 212.0
[M+CH3COO]- 623.93200 235.6
[M+Na-2H]- 585.89282 185.7
[M]+ 564.91760 199.8
[M]- 564.91870 199.8
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.