CID 135484935

Nsc673836

Structural Information

Molecular Formula
C13H19N3O2S
SMILES
CCN(CC)C(=S)N/N=C/C1=C(C=CC(=C1)OC)O
InChI
InChI=1S/C13H19N3O2S/c1-4-16(5-2)13(19)15-14-9-10-8-11(18-3)6-7-12(10)17/h6-9,17H,4-5H2,1-3H3,(H,15,19)/b14-9+
InChIKey
VCCRJRGPJNJTDH-NTEUORMPSA-N
Compound name
1,1-diethyl-3-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1198 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12708 165.4
[M+Na]+ 304.10902 170.6
[M-H]- 280.11252 170.1
[M+NH4]+ 299.15362 181.7
[M+K]+ 320.08296 168.1
[M+H-H2O]+ 264.11706 157.4
[M+HCOO]- 326.11800 186.2
[M+CH3COO]- 340.13365 209.0
[M+Na-2H]- 302.09447 166.4
[M]+ 281.11925 169.0
[M]- 281.12035 169.0
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.