CID 3032374

4,6-bis(ethylamino)-1,3,5-triazine-2-thiol

Structural Information

Molecular Formula
C7H13N5S
SMILES
CCNC1=NC(=S)N=C(N1)NCC
InChI
InChI=1S/C7H13N5S/c1-3-8-5-10-6(9-4-2)12-7(13)11-5/h3-4H2,1-2H3,(H3,8,9,10,11,12,13)
InChIKey
FNFHKYYENMTFNM-UHFFFAOYSA-N
Compound name
2,6-bis(ethylamino)-1H-1,3,5-triazine-4-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

20
Patents

199.08917 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09645 141.6
[M+Na]+ 222.07839 150.4
[M-H]- 198.08189 140.4
[M+NH4]+ 217.12299 156.7
[M+K]+ 238.05233 145.3
[M+H-H2O]+ 182.08643 133.9
[M+HCOO]- 244.08737 158.3
[M+CH3COO]- 258.10302 186.1
[M+Na-2H]- 220.06384 146.5
[M]+ 199.08862 141.0
[M]- 199.08972 141.0
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.