CID 101593708

Terbutrynesulfoxide

Structural Information

Molecular Formula
C10H19N5OS
SMILES
CCNC1=NC(=NC(=N1)S(=O)C)NC(C)(C)C
InChI
InChI=1S/C10H19N5OS/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)17(5)16/h6H2,1-5H3,(H2,11,12,13,14,15)
InChIKey
LMUNBZZRYCNYLJ-UHFFFAOYSA-N
Compound name
2-N-tert-butyl-4-N-ethyl-6-methylsulfinyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.13104 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13832 160.1
[M+Na]+ 280.12026 167.8
[M-H]- 256.12376 160.2
[M+NH4]+ 275.16486 173.5
[M+K]+ 296.09420 164.4
[M+H-H2O]+ 240.12830 152.0
[M+HCOO]- 302.12924 174.9
[M+CH3COO]- 316.14489 200.2
[M+Na-2H]- 278.10571 163.6
[M]+ 257.13049 162.5
[M]- 257.13159 162.5
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

No patent data available for this compound.