CID 9554752

Nsc667885

Structural Information

Molecular Formula
C15H20N4S
SMILES
C1CC2CCC1CN(C2)C(=S)N/N=C/C3=CC=CC=N3
InChI
InChI=1S/C15H20N4S/c20-15(18-17-9-14-3-1-2-8-16-14)19-10-12-4-5-13(11-19)7-6-12/h1-3,8-9,12-13H,4-7,10-11H2,(H,18,20)/b17-9+
InChIKey
SOFPDFXZPLBDHW-RQZCQDPDSA-N
Compound name
N-[(E)-pyridin-2-ylmethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

288.14087 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14815 173.4
[M+Na]+ 311.13009 179.3
[M-H]- 287.13359 175.3
[M+NH4]+ 306.17469 189.6
[M+K]+ 327.10403 177.0
[M+H-H2O]+ 271.13813 170.3
[M+HCOO]- 333.13907 181.2
[M+CH3COO]- 347.15472 180.8
[M+Na-2H]- 309.11554 181.3
[M]+ 288.14032 171.9
[M]- 288.14142 171.9
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