CID 3068712

2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)ethyl carbamimidothioate hbr

Structural Information

Molecular Formula
C14H23N3OS
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)NCCSC(=N)N
InChI
InChI=1S/C14H23N3OS/c15-13(16)19-2-1-17-12(18)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,1-8H2,(H3,15,16)(H,17,18)
InChIKey
LHPKQEBTOVCPEO-UHFFFAOYSA-N
Compound name
2-(adamantane-1-carbonylamino)ethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1562 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16348 159.3
[M+Na]+ 304.14542 158.2
[M-H]- 280.14892 152.1
[M+NH4]+ 299.19002 181.0
[M+K]+ 320.11936 155.7
[M+H-H2O]+ 264.15346 154.6
[M+HCOO]- 326.15440 161.7
[M+CH3COO]- 340.17005 165.4
[M+Na-2H]- 302.13087 168.6
[M]+ 281.15565 158.5
[M]- 281.15675 158.5
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.