CID 111864

Einecs 273-148-9

Structural Information

Molecular Formula
C15H30N6S
SMILES
CC(C)(C)NC1=NC(=NC(=N1)SNC(C)(C)C)NC(C)(C)C
InChI
InChI=1S/C15H30N6S/c1-13(2,3)19-10-16-11(20-14(4,5)6)18-12(17-10)22-21-15(7,8)9/h21H,1-9H3,(H2,16,17,18,19,20)
InChIKey
XUINYYDBYPZYTB-UHFFFAOYSA-N
Compound name
2-N,4-N-ditert-butyl-6-(tert-butylamino)sulfanyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.22528 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.23256 184.6
[M+Na]+ 349.21450 190.1
[M-H]- 325.21800 184.3
[M+NH4]+ 344.25910 195.2
[M+K]+ 365.18844 186.2
[M+H-H2O]+ 309.22254 176.5
[M+HCOO]- 371.22348 196.2
[M+CH3COO]- 385.23913 217.8
[M+Na-2H]- 347.19995 189.4
[M]+ 326.22473 186.5
[M]- 326.22583 186.5
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.