CID 1233632

5498-17-9

Structural Information

Molecular Formula
C8H15N5S
SMILES
CCNC1=NC(=S)N=C(N1)NC(C)C
InChI
InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)
InChIKey
BAAMDWUVIPLPOL-UHFFFAOYSA-N
Compound name
2-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazine-4-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

5
Patents

213.10481 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.11209 146.4
[M+Na]+ 236.09403 154.4
[M-H]- 212.09753 145.2
[M+NH4]+ 231.13863 160.9
[M+K]+ 252.06797 149.6
[M+H-H2O]+ 196.10207 138.7
[M+HCOO]- 258.10301 161.7
[M+CH3COO]- 272.11866 190.0
[M+Na-2H]- 234.07948 149.7
[M]+ 213.10426 145.7
[M]- 213.10536 145.7
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