CID 3073648

Acetic acid, (4-(acetylamino)phenoxy)-, 2-((phenylamino)thioxomethyl)hydrazide

Structural Information

Molecular Formula
C17H18N4O3S
SMILES
CC(=O)NC1=CC=C(C=C1)OCC(=O)NNC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C17H18N4O3S/c1-12(22)18-14-7-9-15(10-8-14)24-11-16(23)20-21-17(25)19-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,22)(H,20,23)(H2,19,21,25)
InChIKey
HXYFMYUMYLMHDV-UHFFFAOYSA-N
Compound name
N-[4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.10995 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11723 182.1
[M+Na]+ 381.09917 189.5
[M+NH4]+ 376.14377 187.4
[M+K]+ 397.07311 182.9
[M-H]- 357.10267 186.1
[M+Na-2H]- 379.08462 188.5
[M]+ 358.10940 184.2
[M]- 358.11050 184.2
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.