CID 5930549

Nsc335794

Structural Information

Molecular Formula
C19H24N6S
SMILES
CCC/C(=N\NC(=S)N1CCN(CC1)C2=CC=CC=N2)/C3=CC=CC=N3
InChI
InChI=1S/C19H24N6S/c1-2-7-17(16-8-3-5-10-20-16)22-23-19(26)25-14-12-24(13-15-25)18-9-4-6-11-21-18/h3-6,8-11H,2,7,12-15H2,1H3,(H,23,26)/b22-17+
InChIKey
TYTDQQOGLGLLNX-OQKWZONESA-N
Compound name
4-pyridin-2-yl-N-[(E)-1-pyridin-2-ylbutylideneamino]piperazine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

368.1783 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18558 186.5
[M+Na]+ 391.16752 189.8
[M-H]- 367.17102 190.6
[M+NH4]+ 386.21212 193.1
[M+K]+ 407.14146 183.0
[M+H-H2O]+ 351.17556 174.4
[M+HCOO]- 413.17650 198.0
[M+CH3COO]- 427.19215 193.3
[M+Na-2H]- 389.15297 188.4
[M]+ 368.17775 182.7
[M]- 368.17885 182.7
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.