CID 135804056

N-(2-methylphenyl)-2-(1-(2,3,4-trihydroxyphenyl)ethylidene)hydrazinecarbothioamide

Structural Information

Molecular Formula
C16H17N3O3S
SMILES
CC1=CC=CC=C1NC(=S)N/N=C(/C)\C2=C(C(=C(C=C2)O)O)O
InChI
InChI=1S/C16H17N3O3S/c1-9-5-3-4-6-12(9)17-16(23)19-18-10(2)11-7-8-13(20)15(22)14(11)21/h3-8,20-22H,1-2H3,(H2,17,19,23)/b18-10-
InChIKey
VXGUYBUXZJHVKM-ZDLGFXPLSA-N
Compound name
1-(2-methylphenyl)-3-[(Z)-1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.09906 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.10634 176.6
[M+Na]+ 354.08828 185.8
[M+NH4]+ 349.13288 182.2
[M+K]+ 370.06222 179.3
[M-H]- 330.09178 180.0
[M+Na-2H]- 352.07373 181.9
[M]+ 331.09851 178.9
[M]- 331.09961 178.9
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.