CID 9578756

1-[(e)-1-(1-adamantyl)ethylideneamino]-3-amino-thiourea

Structural Information

Molecular Formula
C13H22N4S
SMILES
C/C(=N\NC(=S)NN)/C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C13H22N4S/c1-8(16-17-12(18)15-14)13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11H,2-7,14H2,1H3,(H2,15,17,18)/b16-8+
InChIKey
LUVJJAUBJQIMFV-LZYBPNLTSA-N
Compound name
1-[(E)-1-(1-adamantyl)ethylideneamino]-3-aminothiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.15652 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.16380 153.0
[M+Na]+ 289.14574 152.2
[M-H]- 265.14924 147.2
[M+NH4]+ 284.19034 175.7
[M+K]+ 305.11968 150.3
[M+H-H2O]+ 249.15378 147.9
[M+HCOO]- 311.15472 157.9
[M+CH3COO]- 325.17037 159.9
[M+Na-2H]- 287.13119 163.6
[M]+ 266.15597 151.5
[M]- 266.15707 151.5
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.