CID 5728171

2-(thiophen-2-yl)-n'-[(e)-(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide

Structural Information

Molecular Formula
C16H18N2O4S
SMILES
COC1=CC(=C(C=C1/C=N/NC(=O)CC2=CC=CS2)OC)OC
InChI
InChI=1S/C16H18N2O4S/c1-20-13-9-15(22-3)14(21-2)7-11(13)10-17-18-16(19)8-12-5-4-6-23-12/h4-7,9-10H,8H2,1-3H3,(H,18,19)/b17-10+
InChIKey
LFEJYMDHLCILKN-LICLKQGHSA-N
Compound name
2-thiophen-2-yl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.09872 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.105996 177.1
[M+Na]+ 357.087938 184.1
[M-H]- 333.091444 185.6
[M+NH4]+ 352.132543 193.3
[M+K]+ 373.061878 181.3
[M+H-H2O]+ 317.095980 169.0
[M+HCOO]- 379.096921 200.0
[M+CH3COO]- 393.112571 213.6
[M+Na-2H]- 355.073386 177.4
[M]+ 334.09817142 184.9
[M]- 334.09926858 184.9
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.