CID 104699

Einecs 258-991-2

Structural Information

Molecular Formula
C15H30N6S2
SMILES
CCN(CC)C1=NC(=NC(=N1)SN(CC)CC)SN(CC)CC
InChI
InChI=1S/C15H30N6S2/c1-7-19(8-2)13-16-14(22-20(9-3)10-4)18-15(17-13)23-21(11-5)12-6/h7-12H2,1-6H3
InChIKey
ZYBAGQCVSXPOAL-UHFFFAOYSA-N
Compound name
4,6-bis(diethylaminosulfanyl)-N,N-diethyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.19733 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.20461 182.3
[M+Na]+ 381.18655 187.0
[M-H]- 357.19005 184.9
[M+NH4]+ 376.23115 193.3
[M+K]+ 397.16049 183.8
[M+H-H2O]+ 341.19459 171.9
[M+HCOO]- 403.19553 194.0
[M+CH3COO]- 417.21118 231.9
[M+Na-2H]- 379.17200 181.3
[M]+ 358.19678 190.6
[M]- 358.19788 190.6
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

No patent data available for this compound.