CID 9579098

3-(hydroxymethyl)-n'-[(1e)-1-(2-pyridinyl)ethylidene]-1-piperidinecarbothiohydrazide

Structural Information

Molecular Formula
C14H20N4OS
SMILES
C/C(=N\NC(=S)N1CCCC(C1)CO)/C2=CC=CC=N2
InChI
InChI=1S/C14H20N4OS/c1-11(13-6-2-3-7-15-13)16-17-14(20)18-8-4-5-12(9-18)10-19/h2-3,6-7,12,19H,4-5,8-10H2,1H3,(H,17,20)/b16-11+
InChIKey
BMCMZEQWBFYHHK-LFIBNONCSA-N
Compound name
3-(hydroxymethyl)-N-[(E)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.13577 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.14305 167.4
[M+Na]+ 315.12499 170.6
[M-H]- 291.12849 170.2
[M+NH4]+ 310.16959 179.6
[M+K]+ 331.09893 166.2
[M+H-H2O]+ 275.13303 158.3
[M+HCOO]- 337.13397 180.4
[M+CH3COO]- 351.14962 203.3
[M+Na-2H]- 313.11044 168.2
[M]+ 292.13522 163.1
[M]- 292.13632 163.1
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.