CID 5535570

2,6-dimethoxy-4-{(e)-[(2-thienylacetyl)hydrazono]methyl}phenyl acetate

Structural Information

Molecular Formula
C17H18N2O5S
SMILES
CC(=O)OC1=C(C=C(C=C1OC)/C=N\NC(=O)CC2=CC=CS2)OC
InChI
InChI=1S/C17H18N2O5S/c1-11(20)24-17-14(22-2)7-12(8-15(17)23-3)10-18-19-16(21)9-13-5-4-6-25-13/h4-8,10H,9H2,1-3H3,(H,19,21)/b18-10-
InChIKey
GCQUVXRNBJRTCB-ZDLGFXPLSA-N
Compound name
[2,6-dimethoxy-4-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.09363 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.100906 184.4
[M+Na]+ 385.082848 190.6
[M-H]- 361.086354 192.8
[M+NH4]+ 380.127453 199.2
[M+K]+ 401.056788 188.4
[M+H-H2O]+ 345.090890 176.1
[M+HCOO]- 407.091831 206.3
[M+CH3COO]- 421.107481 218.1
[M+Na-2H]- 383.068296 183.4
[M]+ 362.09308142 192.6
[M]- 362.09417858 192.6
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.