CID 57380301

1382469-39-7

Structural Information

Molecular Formula
C19H23N5S
SMILES
CN(C1CCCCC1)C(=S)NN=C(C2=CC=CC=N2)C3=CC=CC=N3
InChI
InChI=1S/C19H23N5S/c1-24(15-9-3-2-4-10-15)19(25)23-22-18(16-11-5-7-13-20-16)17-12-6-8-14-21-17/h5-8,11-15H,2-4,9-10H2,1H3,(H,23,25)
InChIKey
GNLZNQJBZNOUBM-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

40
Patents

353.16742 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17470 179.8
[M+Na]+ 376.15664 190.2
[M+NH4]+ 371.20124 187.5
[M+K]+ 392.13058 181.1
[M-H]- 352.16014 186.9
[M+Na-2H]- 374.14209 189.8
[M]+ 353.16687 183.5
[M]- 353.16797 183.5
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

patents stripe