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]+ 290.143376 172.5
[M+Na]+ 312.125318 179.1
[M-H]- 288.128824 173.5
[M+NH4]+ 307.169923 187.6
[M+K]+ 328.099258 176.9
[M+H-H2O]+ 272.133360 167.8
[M+HCOO]- 334.134301 179.7
[M+CH3COO]- 348.149951 179.7
[M+Na-2H]- 310.110766 180.9
[M]+ 289.13555142 171.2
[M]- 289.13664858 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.