CID 3079553

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

Structural Information

Molecular Formula
C22H21N3O2S
SMILES
CC1=CC=C(C=C1)NC(=S)NNC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H21N3O2S/c1-16-7-11-19(12-8-16)23-22(28)25-24-21(26)15-27-20-13-9-18(10-14-20)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,24,26)(H2,23,25,28)
InChIKey
NJGNDFIUBDTNOX-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-3-[[2-(4-phenylphenoxy)acetyl]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.13544 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.14272 192.7
[M+Na]+ 414.12466 204.6
[M+NH4]+ 409.16926 199.9
[M+K]+ 430.09860 194.7
[M-H]- 390.12816 200.3
[M+Na-2H]- 412.11011 202.9
[M]+ 391.13489 196.9
[M]- 391.13599 196.9
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.