CID 3004968

Nsc665946

Structural Information

Molecular Formula
C18H29N3OS
SMILES
C1CCC(CC1)NC(=S)NNC(=O)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C18H29N3OS/c22-16(20-21-17(23)19-15-4-2-1-3-5-15)18-9-12-6-13(10-18)8-14(7-12)11-18/h12-15H,1-11H2,(H,20,22)(H2,19,21,23)
InChIKey
ZOLMGNOMKCVWKK-UHFFFAOYSA-N
Compound name
1-(adamantane-1-carbonylamino)-3-cyclohexylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.20312 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.21040 165.3
[M+Na]+ 358.19234 161.0
[M-H]- 334.19584 160.1
[M+NH4]+ 353.23694 184.5
[M+K]+ 374.16628 158.2
[M+H-H2O]+ 318.20038 158.9
[M+HCOO]- 380.20132 164.6
[M+CH3COO]- 394.21697 169.7
[M+Na-2H]- 356.17779 173.9
[M]+ 335.20257 160.3
[M]- 335.20367 160.3
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.