CID 5387354

Nsc622699

Structural Information

Molecular Formula
C11H15N3O2S
SMILES
C/C(=N/NC(=S)N)/C1=C(C=CC(=C1)OC)OC
InChI
InChI=1S/C11H15N3O2S/c1-7(13-14-11(12)17)9-6-8(15-2)4-5-10(9)16-3/h4-6H,1-3H3,(H3,12,14,17)/b13-7-
InChIKey
QDJNJDXOXZINPT-QPEQYQDCSA-N
Compound name
[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.0885 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09578 156.6
[M+Na]+ 276.07772 162.7
[M-H]- 252.08122 161.2
[M+NH4]+ 271.12232 173.7
[M+K]+ 292.05166 160.2
[M+H-H2O]+ 236.08576 149.0
[M+HCOO]- 298.08670 177.5
[M+CH3COO]- 312.10235 203.1
[M+Na-2H]- 274.06317 157.6
[M]+ 253.08795 158.6
[M]- 253.08905 158.6
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.