CID 16727845

1-(adamantane-2-carbonylamino)-3-(2-adamantyl)thiourea

Structural Information

Molecular Formula
C22H33N3OS
SMILES
C1C2CC3CC1CC(C2)C3C(=O)NNC(=S)NC4C5CC6CC(C5)CC4C6
InChI
InChI=1S/C22H33N3OS/c26-21(19-15-3-11-1-12(5-15)6-16(19)4-11)24-25-22(27)23-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2,(H,24,26)(H2,23,25,27)
InChIKey
UWXAZSPLSXSKGH-UHFFFAOYSA-N
Compound name
1-(adamantane-2-carbonylamino)-3-(2-adamantyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.23444 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.24172 163.4
[M+Na]+ 410.22366 151.9
[M-H]- 386.22716 150.2
[M+NH4]+ 405.26826 179.6
[M+K]+ 426.19760 149.9
[M+H-H2O]+ 370.23170 154.5
[M+HCOO]- 432.23264 149.5
[M+CH3COO]- 446.24829 162.2
[M+Na-2H]- 408.20911 172.4
[M]+ 387.23389 159.7
[M]- 387.23499 159.7
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.