CID 13019211

Deethylterbutryne

Structural Information

Molecular Formula
C8H15N5S
SMILES
CC(C)(C)NC1=NC(=NC(=N1)N)SC
InChI
InChI=1S/C8H15N5S/c1-8(2,3)13-6-10-5(9)11-7(12-6)14-4/h1-4H3,(H3,9,10,11,12,13)
InChIKey
MWWBDLRPMWTLRX-UHFFFAOYSA-N
Compound name
2-N-tert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

28
Patents

213.10481 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.11209 148.9
[M+Na]+ 236.09403 157.8
[M-H]- 212.09753 148.8
[M+NH4]+ 231.13863 164.1
[M+K]+ 252.06797 154.1
[M+H-H2O]+ 196.10207 141.4
[M+HCOO]- 258.10301 164.4
[M+CH3COO]- 272.11866 191.4
[M+Na-2H]- 234.07948 153.3
[M]+ 213.10426 149.6
[M]- 213.10536 149.6
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.