CID 135410285

Nsc668295

Structural Information

Molecular Formula
C14H19N3OS
SMILES
C/C(=N\NC(=S)N1CCCCC1)/C2=CC=CC=C2O
InChI
InChI=1S/C14H19N3OS/c1-11(12-7-3-4-8-13(12)18)15-16-14(19)17-9-5-2-6-10-17/h3-4,7-8,18H,2,5-6,9-10H2,1H3,(H,16,19)/b15-11+
InChIKey
IXYYSGYYZOACOT-RVDMUPIBSA-N
Compound name
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]piperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.12488 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13216 163.6
[M+Na]+ 300.11410 166.7
[M-H]- 276.11760 167.7
[M+NH4]+ 295.15870 177.7
[M+K]+ 316.08804 162.5
[M+H-H2O]+ 260.12214 155.3
[M+HCOO]- 322.12308 177.8
[M+CH3COO]- 336.13873 200.5
[M+Na-2H]- 298.09955 164.2
[M]+ 277.12433 158.7
[M]- 277.12543 158.7
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.