CID 3034344

23613-02-7

Structural Information

Molecular Formula
C9H17N5S
SMILES
CCNC1=NC(=S)N=C(N1)N(CC)CC
InChI
InChI=1S/C9H17N5S/c1-4-10-7-11-8(13-9(15)12-7)14(5-2)6-3/h4-6H2,1-3H3,(H2,10,11,12,13,15)
InChIKey
GOUKSYJATNOEID-UHFFFAOYSA-N
Compound name
2-(diethylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

227.12047 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.127746 150.4
[M+Na]+ 250.109688 158.4
[M-H]- 226.113194 150.4
[M+NH4]+ 245.154293 165.0
[M+K]+ 266.083628 154.3
[M+H-H2O]+ 210.117730 142.1
[M+HCOO]- 272.118671 166.9
[M+CH3COO]- 286.134321 195.4
[M+Na-2H]- 248.095136 153.7
[M]+ 227.11992142 151.9
[M]- 227.12101858 151.9
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

patents stripe