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 181.9
[M+Na]+ 381.09917 184.5
[M-H]- 357.10267 187.7
[M+NH4]+ 376.14377 193.0
[M+K]+ 397.07311 180.4
[M+H-H2O]+ 341.10721 172.4
[M+HCOO]- 403.10815 202.0
[M+CH3COO]- 417.12380 219.5
[M+Na-2H]- 379.08462 184.3
[M]+ 358.10940 181.5
[M]- 358.11050 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.