CID 9578753

[(z)-[1-adamantyl(2-pyridyl)methylene]amino]thiourea

Structural Information

Molecular Formula
C17H22N4S
SMILES
C1C2CC3CC1CC(C2)(C3)/C(=N/NC(=S)N)/C4=CC=CC=N4
InChI
InChI=1S/C17H22N4S/c18-16(22)21-20-15(14-3-1-2-4-19-14)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,18,21,22)/b20-15+
InChIKey
KRKFGLNLCYZRMA-HMMYKYKNSA-N
Compound name
[(Z)-[1-adamantyl(pyridin-2-yl)methylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.15652 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.16380 162.2
[M+Na]+ 337.14574 161.7
[M-H]- 313.14924 158.2
[M+NH4]+ 332.19034 181.7
[M+K]+ 353.11968 158.4
[M+H-H2O]+ 297.15378 154.5
[M+HCOO]- 359.15472 165.7
[M+CH3COO]- 373.17037 168.4
[M+Na-2H]- 335.13119 173.0
[M]+ 314.15597 161.0
[M]- 314.15707 161.0
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.