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]+ 359.117226 181.9
[M+Na]+ 381.099168 184.5
[M-H]- 357.102674 187.7
[M+NH4]+ 376.143773 193.0
[M+K]+ 397.073108 180.4
[M+H-H2O]+ 341.107210 172.4
[M+HCOO]- 403.108151 202.0
[M+CH3COO]- 417.123801 219.5
[M+Na-2H]- 379.084616 184.3
[M]+ 358.10940142 181.5
[M]- 358.11049858 181.5
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.