CID 9579101

Chembl30788

Structural Information

Molecular Formula
C16H24N4S
SMILES
C/C(=N\NC(=S)N1CCCCCCCC1)/C2=CC=CC=N2
InChI
InChI=1S/C16H24N4S/c1-14(15-10-6-7-11-17-15)18-19-16(21)20-12-8-4-2-3-5-9-13-20/h6-7,10-11H,2-5,8-9,12-13H2,1H3,(H,19,21)/b18-14+
InChIKey
RGTRFKVNYVUDGX-NBVRZTHBSA-N
Compound name
N-[(E)-1-pyridin-2-ylethylideneamino]azonane-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

304.17218 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17946 196.8
[M+Na]+ 327.16140 197.3
[M-H]- 303.16490 196.2
[M+NH4]+ 322.20600 196.4
[M+K]+ 343.13534 195.7
[M+H-H2O]+ 287.16944 187.7
[M+HCOO]- 349.17038 197.0
[M+CH3COO]- 363.18603 197.6
[M+Na-2H]- 325.14685 198.4
[M]+ 304.17163 196.6
[M]- 304.17273 196.6
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

No patent data available for this compound.