CID 3004348

Nsc647253

Structural Information

Molecular Formula
C10H20N8S2
SMILES
CC1(C(=NNC(=S)NN)C(C1=NNC(=S)NN)(C)C)C
InChI
InChI=1S/C10H20N8S2/c1-9(2)5(15-17-7(19)13-11)10(3,4)6(9)16-18-8(20)14-12/h11-12H2,1-4H3,(H2,13,17,19)(H2,14,18,20)
InChIKey
MXJKCBQXSFEOEY-UHFFFAOYSA-N
Compound name
1-amino-3-[[3-(aminocarbamothioylhydrazinylidene)-2,2,4,4-tetramethylcyclobutylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.12524 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13252 173.2
[M+Na]+ 339.11446 171.5
[M-H]- 315.11796 174.6
[M+NH4]+ 334.15906 181.9
[M+K]+ 355.08840 171.5
[M+H-H2O]+ 299.12250 157.3
[M+HCOO]- 361.12344 186.6
[M+CH3COO]- 375.13909 228.8
[M+Na-2H]- 337.09991 173.3
[M]+ 316.12469 175.0
[M]- 316.12579 175.0
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.