CID 11971190

Einecs 300-429-6

Structural Information

Molecular Formula
C15H30N6S2
SMILES
CC(C)(C)NC1=NC(=NC(=N1)SNC(C)(C)C)SNC(C)(C)C
InChI
InChI=1S/C15H30N6S2/c1-13(2,3)19-10-16-11(22-20-14(4,5)6)18-12(17-10)23-21-15(7,8)9/h20-21H,1-9H3,(H,16,17,18,19)
InChIKey
VQQATQRXSKKPPV-UHFFFAOYSA-N
Compound name
N-tert-butyl-4,6-bis[(tert-butylamino)sulfanyl]-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

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.204606 187.6
[M+Na]+ 381.186548 192.7
[M-H]- 357.190054 186.5
[M+NH4]+ 376.231153 197.0
[M+K]+ 397.160488 187.0
[M+H-H2O]+ 341.194590 179.3
[M+HCOO]- 403.195531 193.6
[M+CH3COO]- 417.211181 221.8
[M+Na-2H]- 379.171996 190.9
[M]+ 358.19678142 189.8
[M]- 358.19787858 189.8
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.