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

14
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

literature stripe

Patent stripe

patents stripe