CID 5935047

Nsc335789

Structural Information

Molecular Formula
C17H24N4S
SMILES
CC1=NC(=CC=C1)/C(=N\NC(=S)N2CC3CCC(C2)CC3)/C
InChI
InChI=1S/C17H24N4S/c1-12-4-3-5-16(18-12)13(2)19-20-17(22)21-10-14-6-7-15(11-21)9-8-14/h3-5,14-15H,6-11H2,1-2H3,(H,20,22)/b19-13-
InChIKey
VJEYGFIUNKNUPI-UYRXBGFRSA-N
Compound name
N-[(Z)-1-(6-methylpyridin-2-yl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.17218 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17946 181.7
[M+Na]+ 339.16140 187.2
[M-H]- 315.16490 183.5
[M+NH4]+ 334.20600 197.1
[M+K]+ 355.13534 185.3
[M+H-H2O]+ 299.16944 178.6
[M+HCOO]- 361.17038 188.0
[M+CH3COO]- 375.18603 188.5
[M+Na-2H]- 337.14685 187.4
[M]+ 316.17163 180.5
[M]- 316.17273 180.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.