CID 118806

Einecs 252-500-5

Structural Information

Molecular Formula
C15H30N6S2
SMILES
CCN(CC)C1=NC(=NC(=N1)SNC(C)(C)C)SNC(C)(C)C
InChI
InChI=1S/C15H30N6S2/c1-9-21(10-2)11-16-12(22-19-14(3,4)5)18-13(17-11)23-20-15(6,7)8/h19-20H,9-10H2,1-8H3
InChIKey
TZMRQBUUKHDXFH-UHFFFAOYSA-N
Compound name
4,6-bis[(tert-butylamino)sulfanyl]-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

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.204606 185.9
[M+Na]+ 381.186548 190.9
[M-H]- 357.190054 186.0
[M+NH4]+ 376.231153 195.8
[M+K]+ 397.160488 186.0
[M+H-H2O]+ 341.194590 176.9
[M+HCOO]- 403.195531 193.8
[M+CH3COO]- 417.211181 225.0
[M+Na-2H]- 379.171996 187.6
[M]+ 358.19678142 190.1
[M]- 358.19787858 190.1
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.