CID 9578860

Nsc633276

Structural Information

Molecular Formula
C14H19N5S
SMILES
C1CC2CCC1CN(C2)C(=S)N/N=C/C3=NN=CC=C3
InChI
InChI=1S/C14H19N5S/c20-14(18-16-8-13-2-1-7-15-17-13)19-9-11-3-4-12(10-19)6-5-11/h1-2,7-8,11-12H,3-6,9-10H2,(H,18,20)/b16-8+
InChIKey
GFXVXUVSTJAGLD-LZYBPNLTSA-N
Compound name
N-[(E)-pyridazin-3-ylmethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1361 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14338 172.5
[M+Na]+ 312.12532 179.1
[M-H]- 288.12882 173.5
[M+NH4]+ 307.16992 187.6
[M+K]+ 328.09926 176.9
[M+H-H2O]+ 272.13336 167.8
[M+HCOO]- 334.13430 179.7
[M+CH3COO]- 348.14995 179.7
[M+Na-2H]- 310.11077 180.9
[M]+ 289.13555 171.2
[M]- 289.13665 171.2
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.