CID 135804051

Hydrazinecarbothioamide, n-(4-ethoxyphenyl)-2-(1-(2,3,4-trihydroxyphenyl)ethylidene)-

Structural Information

Molecular Formula
C17H19N3O4S
SMILES
CCOC1=CC=C(C=C1)NC(=S)N/N=C(/C)\C2=C(C(=C(C=C2)O)O)O
InChI
InChI=1S/C17H19N3O4S/c1-3-24-12-6-4-11(5-7-12)18-17(25)20-19-10(2)13-8-9-14(21)16(23)15(13)22/h4-9,21-23H,3H2,1-2H3,(H2,18,20,25)/b19-10-
InChIKey
IVXQTEPGJVXVMS-GRSHGNNSSA-N
Compound name
1-(4-ethoxyphenyl)-3-[(Z)-1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.10962 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.116896 182.4
[M+Na]+ 384.098838 187.0
[M-H]- 360.102344 186.3
[M+NH4]+ 379.143443 193.1
[M+K]+ 400.072778 182.1
[M+H-H2O]+ 344.106880 173.9
[M+HCOO]- 406.107821 199.3
[M+CH3COO]- 420.123471 217.1
[M+Na-2H]- 382.084286 182.3
[M]+ 361.10907142 183.1
[M]- 361.11016858 183.1
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.