CID 5410248

2-(2-thienyl)-n'-(2,4,5-trimethoxybenzylidene)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-YVLHZVERSA-N
Compound name
2-thiophen-2-yl-N-[(Z)-(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]+ 335.10600 177.1
[M+Na]+ 357.08794 184.1
[M-H]- 333.09144 185.6
[M+NH4]+ 352.13254 193.3
[M+K]+ 373.06188 181.3
[M+H-H2O]+ 317.09598 169.0
[M+HCOO]- 379.09692 200.0
[M+CH3COO]- 393.11257 213.6
[M+Na-2H]- 355.07339 177.4
[M]+ 334.09817 184.9
[M]- 334.09927 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.