CID 6882802

3,4-dimethoxy-n-(2-oxo-2-(2-(2-thienylmethylene)hydrazino)ethyl)benzamide

Structural Information

Molecular Formula
C16H17N3O4S
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=CS2)OC
InChI
InChI=1S/C16H17N3O4S/c1-22-13-6-5-11(8-14(13)23-2)16(21)17-10-15(20)19-18-9-12-4-3-7-24-12/h3-9H,10H2,1-2H3,(H,17,21)(H,19,20)/b18-9+
InChIKey
WQWFXEJBGXPUTI-GIJQJNRQSA-N
Compound name
3,4-dimethoxy-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

347.09396 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.10124 181.1
[M+Na]+ 370.08318 188.6
[M+NH4]+ 365.12778 186.6
[M+K]+ 386.05712 183.5
[M-H]- 346.08668 184.2
[M+Na-2H]- 368.06863 186.1
[M]+ 347.09341 183.0
[M]- 347.09451 183.0
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

patents stripe