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

26
Patents

227.12047 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12775 150.7
[M+Na]+ 250.10969 161.2
[M+NH4]+ 245.15429 157.2
[M+K]+ 266.08363 153.8
[M-H]- 226.11319 151.8
[M+Na-2H]- 248.09514 155.6
[M]+ 227.11992 152.6
[M]- 227.12102 152.6
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