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
1
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]+ 258.13832 160.5
[M+Na]+ 280.12026 167.5
[M-H]- 256.12376 159.2
[M+NH4]+ 275.16486 173.2
[M+K]+ 296.09420 163.9
[M+H-H2O]+ 240.12830 152.7
[M+HCOO]- 302.12924 173.6
[M+CH3COO]- 316.14489 198.6
[M+Na-2H]- 278.10571 163.7
[M]+ 257.13049 161.8
[M]- 257.13159 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.