CID 64314

Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide

Structural Information

Molecular Formula
C13H23N3S
SMILES
C1C2CC3CC1CC(C2)(C3)NCCSC(=N)N
InChI
InChI=1S/C13H23N3S/c14-12(15)17-2-1-16-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11,16H,1-8H2,(H3,14,15)
InChIKey
RQJDMSCNOAUYEI-UHFFFAOYSA-N
Compound name
2-(1-adamantylamino)ethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.16127 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.16855 151.7
[M+Na]+ 276.15049 151.3
[M-H]- 252.15399 144.8
[M+NH4]+ 271.19509 174.7
[M+K]+ 292.12443 148.4
[M+H-H2O]+ 236.15853 146.8
[M+HCOO]- 298.15947 155.2
[M+CH3COO]- 312.17512 158.5
[M+Na-2H]- 274.13594 162.1
[M]+ 253.16072 150.5
[M]- 253.16182 150.5
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.