CID 5535569

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-VCHYOVAHSA-N
Compound name
[2,6-dimethoxy-4-[(E)-[(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]+ 363.10091 185.0
[M+Na]+ 385.08285 193.6
[M+NH4]+ 380.12745 190.4
[M+K]+ 401.05679 188.6
[M-H]- 361.08635 187.5
[M+Na-2H]- 383.06830 189.5
[M]+ 362.09308 187.0
[M]- 362.09418 187.0
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

No patent data available for this compound.