CID 135484939

Nsc689529

Structural Information

Molecular Formula
C14H19N3O2S
SMILES
COC1=CC(=C(C=C1)O)/C=N/NC(=S)N2CCCCC2
InChI
InChI=1S/C14H19N3O2S/c1-19-12-5-6-13(18)11(9-12)10-15-16-14(20)17-7-3-2-4-8-17/h5-6,9-10,18H,2-4,7-8H2,1H3,(H,16,20)/b15-10+
InChIKey
ZZLKTDDOQDUTNM-XNTDXEJSSA-N
Compound name
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]piperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1198 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12708 166.6
[M+Na]+ 316.10902 170.7
[M-H]- 292.11252 171.0
[M+NH4]+ 311.15362 180.4
[M+K]+ 332.08296 166.5
[M+H-H2O]+ 276.11706 158.1
[M+HCOO]- 338.11800 182.0
[M+CH3COO]- 352.13365 203.0
[M+Na-2H]- 314.09447 167.7
[M]+ 293.11925 164.1
[M]- 293.12035 164.1
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.