CID 3003056

1-(1-adamantyl)-3-[(2,4-dimethylthiazole-5-carbonyl)amino]thiourea

Structural Information

Molecular Formula
C17H24N4OS2
SMILES
CC1=C(SC(=N1)C)C(=O)NNC(=S)NC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C17H24N4OS2/c1-9-14(24-10(2)18-9)15(22)20-21-16(23)19-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-13H,3-8H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKey
YKQUFQLGJUFBCP-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.13916 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.14644 171.3
[M+Na]+ 387.12838 171.9
[M-H]- 363.13188 166.0
[M+NH4]+ 382.17298 191.1
[M+K]+ 403.10232 169.0
[M+H-H2O]+ 347.13642 167.3
[M+HCOO]- 409.13736 169.7
[M+CH3COO]- 423.15301 177.0
[M+Na-2H]- 385.11383 180.3
[M]+ 364.13861 174.4
[M]- 364.13971 174.4
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.