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
2
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]+ 359.204606 182.3
[M+Na]+ 381.186548 187.0
[M-H]- 357.190054 184.9
[M+NH4]+ 376.231153 193.3
[M+K]+ 397.160488 183.8
[M+H-H2O]+ 341.194590 171.9
[M+HCOO]- 403.195531 194.0
[M+CH3COO]- 417.211181 231.9
[M+Na-2H]- 379.171996 181.3
[M]+ 358.19678142 190.6
[M]- 358.19787858 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.