CID 5371388

Nsc351074

Structural Information

Molecular Formula
C16H22N4OS
SMILES
C/C(=C\1/C=CC=CN1O)/N=NC(=S)N2CC3CCC(C2)CC3
InChI
InChI=1S/C16H22N4OS/c1-12(15-4-2-3-9-20(15)21)17-18-16(22)19-10-13-5-6-14(11-19)8-7-13/h2-4,9,13-14,21H,5-8,10-11H2,1H3/b15-12+,18-17?
InChIKey
JXKAUGIWBHDWSM-PPMQQXKDSA-N
Compound name
N-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]imino-3-azabicyclo[3.2.2]nonane-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.15143 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15871 180.4
[M+Na]+ 341.14065 185.4
[M-H]- 317.14415 181.9
[M+NH4]+ 336.18525 195.5
[M+K]+ 357.11459 183.9
[M+H-H2O]+ 301.14869 177.2
[M+HCOO]- 363.14963 186.1
[M+CH3COO]- 377.16528 186.9
[M+Na-2H]- 339.12610 186.0
[M]+ 318.15088 178.3
[M]- 318.15198 178.3
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.