CID 3003902

25902-57-2

Structural Information

Molecular Formula
C8H15N3S3
SMILES
CCCNC(=S)NN1C2CSC1CS2
InChI
InChI=1S/C8H15N3S3/c1-2-3-9-8(12)10-11-6-4-13-7(11)5-14-6/h6-7H,2-5H2,1H3,(H2,9,10,12)
InChIKey
BFUQGKQXNGVSKC-UHFFFAOYSA-N
Compound name
1-(2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl)-3-propylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.04282 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.05010 149.9
[M+Na]+ 272.03204 157.0
[M-H]- 248.03554 150.2
[M+NH4]+ 267.07664 171.2
[M+K]+ 288.00598 152.7
[M+H-H2O]+ 232.04008 145.9
[M+HCOO]- 294.04102 154.9
[M+CH3COO]- 308.05667 160.2
[M+Na-2H]- 270.01749 149.6
[M]+ 249.04227 149.7
[M]- 249.04337 149.7
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.