CID 135493997

Nsc689548

Structural Information

Molecular Formula
C12H17N3O3S
SMILES
C/C(=N\NC(=S)NC)/C1=CC(=C(C=C1O)OC)OC
InChI
InChI=1S/C12H17N3O3S/c1-7(14-15-12(19)13-2)8-5-10(17-3)11(18-4)6-9(8)16/h5-6,16H,1-4H3,(H2,13,15,19)/b14-7+
InChIKey
ZUUVJALLOGMBMS-VGOFMYFVSA-N
Compound name
1-[(E)-1-(2-hydroxy-4,5-dimethoxyphenyl)ethylideneamino]-3-methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.09906 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10634 163.9
[M+Na]+ 306.08828 169.7
[M-H]- 282.09178 167.6
[M+NH4]+ 301.13288 179.5
[M+K]+ 322.06222 167.1
[M+H-H2O]+ 266.09632 156.3
[M+HCOO]- 328.09726 183.7
[M+CH3COO]- 342.11291 207.1
[M+Na-2H]- 304.07373 164.4
[M]+ 283.09851 167.0
[M]- 283.09961 167.0
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.