CID 6076911

Nsc376266

Structural Information

Molecular Formula
C15H19N5S
SMILES
C/C(=N/NC(=S)N1CCN(CC1)CC#C)/C2=CC=CC=N2
InChI
InChI=1S/C15H19N5S/c1-3-8-19-9-11-20(12-10-19)15(21)18-17-13(2)14-6-4-5-7-16-14/h1,4-7H,8-12H2,2H3,(H,18,21)/b17-13-
InChIKey
OGHLKBYOYCGJPR-LGMDPLHJSA-N
Compound name
4-prop-2-ynyl-N-[(Z)-1-pyridin-2-ylethylideneamino]piperazine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

301.1361 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14338 172.0
[M+Na]+ 324.12532 177.7
[M-H]- 300.12882 172.3
[M+NH4]+ 319.16992 181.3
[M+K]+ 340.09926 172.2
[M+H-H2O]+ 284.13336 155.7
[M+HCOO]- 346.13430 179.1
[M+CH3COO]- 360.14995 213.0
[M+Na-2H]- 322.11077 171.3
[M]+ 301.13555 162.7
[M]- 301.13665 162.7
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.