CID 5494351

Nsc673737

Structural Information

Molecular Formula
C14H20N4S
SMILES
CC1=NC(=CC=C1)/C(=N/NC(=S)N2CCCCC2)/C
InChI
InChI=1S/C14H20N4S/c1-11-7-6-8-13(15-11)12(2)16-17-14(19)18-9-4-3-5-10-18/h6-8H,3-5,9-10H2,1-2H3,(H,17,19)/b16-12+
InChIKey
PVHGAKSBSCSRFX-FOWTUZBSSA-N
Compound name
N-[(E)-1-(6-methylpyridin-2-yl)ethylideneamino]piperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

276.14087 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.14815 164.5
[M+Na]+ 299.13009 168.3
[M-H]- 275.13359 168.7
[M+NH4]+ 294.17469 178.1
[M+K]+ 315.10403 164.2
[M+H-H2O]+ 259.13813 155.2
[M+HCOO]- 321.13907 178.7
[M+CH3COO]- 335.15472 203.6
[M+Na-2H]- 297.11554 165.4
[M]+ 276.14032 160.6
[M]- 276.14142 160.6
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

patents stripe