CID 3079554

Acetic acid, ((1,1'-biphenyl)-4-yloxy)-, 2-(((2,4-dimethylphenyl)amino)thioxomethyl)hydrazide

Structural Information

Molecular Formula
C23H23N3O2S
SMILES
CC1=CC(=C(C=C1)NC(=S)NNC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C23H23N3O2S/c1-16-8-13-21(17(2)14-16)24-23(29)26-25-22(27)15-28-20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,27)(H2,24,26,29)
InChIKey
GMCAEPMVLWUDEH-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylphenyl)-3-[[2-(4-phenylphenoxy)acetyl]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.1511 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.15838 197.6
[M+Na]+ 428.14032 209.6
[M+NH4]+ 423.18492 204.6
[M+K]+ 444.11426 199.7
[M-H]- 404.14382 205.2
[M+Na-2H]- 426.12577 207.3
[M]+ 405.15055 201.8
[M]- 405.15165 201.8
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.