CID 9579106

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

Structural Information

Molecular Formula
C18H26N4S
SMILES
CC(C)/C(=N\NC(=S)N1CC2CCC(C1)CC2)/C3=CC=CC=N3
InChI
InChI=1S/C18H26N4S/c1-13(2)17(16-5-3-4-10-19-16)20-21-18(23)22-11-14-6-7-15(12-22)9-8-14/h3-5,10,13-15H,6-9,11-12H2,1-2H3,(H,21,23)/b20-17+
InChIKey
DIXBNSMUEGCINM-LVZFUZTISA-N
Compound name
N-[(E)-(2-methyl-1-pyridin-2-ylpropylidene)amino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.1878 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.19508 183.7
[M+Na]+ 353.17702 188.0
[M-H]- 329.18052 185.2
[M+NH4]+ 348.22162 198.4
[M+K]+ 369.15096 186.4
[M+H-H2O]+ 313.18506 180.6
[M+HCOO]- 375.18600 189.1
[M+CH3COO]- 389.20165 189.9
[M+Na-2H]- 351.16247 189.0
[M]+ 330.18725 182.1
[M]- 330.18835 182.1
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.