CID 154699887

2-hydroxyethylterbutryn

Structural Information

Molecular Formula
C10H19N5OS
SMILES
CC(NC1=NC(=NC(=N1)SC)NC(C)(C)C)O
InChI
InChI=1S/C10H19N5OS/c1-6(16)11-7-12-8(15-10(2,3)4)14-9(13-7)17-5/h6,16H,1-5H3,(H2,11,12,13,14,15)
InChIKey
PVGZWYYCGWPQRV-UHFFFAOYSA-N
Compound name
1-[[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

257.13104 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.138316 160.5
[M+Na]+ 280.120258 167.5
[M-H]- 256.123764 159.2
[M+NH4]+ 275.164863 173.2
[M+K]+ 296.094198 163.9
[M+H-H2O]+ 240.128300 152.7
[M+HCOO]- 302.129241 173.6
[M+CH3COO]- 316.144891 198.6
[M+Na-2H]- 278.105706 163.7
[M]+ 257.13049142 161.8
[M]- 257.13158858 161.8
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.