CID 3034256

6-(diethylamino)-1,3,5-triazine-2,4(1h,3h)-dithione

Structural Information

Molecular Formula
C7H12N4S2
SMILES
CCN(CC)C1=NC(=S)NC(=S)N1
InChI
InChI=1S/C7H12N4S2/c1-3-11(4-2)5-8-6(12)10-7(13)9-5/h3-4H2,1-2H3,(H2,8,9,10,12,13)
InChIKey
KRBGYJXDLGSDEX-UHFFFAOYSA-N
Compound name
6-(diethylamino)-1H-1,3,5-triazine-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

358
Patents

216.05034 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.05762 141.3
[M+Na]+ 239.03956 150.9
[M-H]- 215.04306 139.9
[M+NH4]+ 234.08416 156.1
[M+K]+ 255.01350 144.1
[M+H-H2O]+ 199.04760 134.5
[M+HCOO]- 261.04854 150.3
[M+CH3COO]- 275.06419 185.9
[M+Na-2H]- 237.02501 142.2
[M]+ 216.04979 140.8
[M]- 216.05089 140.9
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

patents stripe