CID 5371587

Nsc354670

Structural Information

Molecular Formula
C14H20N4S2
SMILES
C/C(=N/NC(=S)N1CC2CCC(C1)CC2)/C3=NC=CS3
InChI
InChI=1S/C14H20N4S2/c1-10(13-15-6-7-20-13)16-17-14(19)18-8-11-2-3-12(9-18)5-4-11/h6-7,11-12H,2-5,8-9H2,1H3,(H,17,19)/b16-10-
InChIKey
OHHANFDQXBLKIW-YBEGLDIGSA-N
Compound name
N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

308.11295 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12023 181.0
[M+Na]+ 331.10217 185.8
[M-H]- 307.10567 182.2
[M+NH4]+ 326.14677 197.5
[M+K]+ 347.07611 183.8
[M+H-H2O]+ 291.11021 178.3
[M+HCOO]- 353.11115 184.0
[M+CH3COO]- 367.12680 187.3
[M+Na-2H]- 329.08762 184.7
[M]+ 308.11240 180.2
[M]- 308.11350 180.2
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

patents stripe