CID 6882802

374606-62-9

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]+ 348.101236 180.1
[M+Na]+ 370.083178 185.2
[M-H]- 346.086684 188.2
[M+NH4]+ 365.127783 194.9
[M+K]+ 386.057118 182.5
[M+H-H2O]+ 330.091220 171.4
[M+HCOO]- 392.092161 203.1
[M+CH3COO]- 406.107811 217.0
[M+Na-2H]- 368.068626 180.8
[M]+ 347.09341142 185.4
[M]- 347.09450858 185.4
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