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

20
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

literature stripe

Patent stripe

patents stripe