CID 9579104

N'-[(1e)-1-(2-pyridinyl)propylidene]-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide

Structural Information

Molecular Formula
C17H24N4S
SMILES
CC/C(=N\NC(=S)N1CC2CCC(C1)CC2)/C3=CC=CC=N3
InChI
InChI=1S/C17H24N4S/c1-2-15(16-5-3-4-10-18-16)19-20-17(22)21-11-13-6-7-14(12-21)9-8-13/h3-5,10,13-14H,2,6-9,11-12H2,1H3,(H,20,22)/b19-15+
InChIKey
WIPYJBDUJYYQHG-XDJHFCHBSA-N
Compound name
N-[(E)-1-pyridin-2-ylpropylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.17218 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17946 180.5
[M+Na]+ 339.16140 185.4
[M-H]- 315.16490 182.0
[M+NH4]+ 334.20600 195.7
[M+K]+ 355.13534 183.3
[M+H-H2O]+ 299.16944 177.2
[M+HCOO]- 361.17038 186.9
[M+CH3COO]- 375.18603 187.1
[M+Na-2H]- 337.14685 186.8
[M]+ 316.17163 179.0
[M]- 316.17273 179.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.