CID 146035701

T-butylhydroxy-terbutryn

Structural Information

Molecular Formula
C10H19N5OS
SMILES
CCNC1=NC(=NC(=N1)SC)NC(C)(C)CO
InChI
InChI=1S/C10H19N5OS/c1-5-11-7-12-8(14-9(13-7)17-4)15-10(2,3)6-16/h16H,5-6H2,1-4H3,(H2,11,12,13,14,15)
InChIKey
IPQDKPPIYWXHHF-UHFFFAOYSA-N
Compound name
2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.13104 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13832 160.0
[M+Na]+ 280.12026 167.2
[M-H]- 256.12376 158.6
[M+NH4]+ 275.16486 172.7
[M+K]+ 296.09420 163.0
[M+H-H2O]+ 240.12830 152.1
[M+HCOO]- 302.12924 174.2
[M+CH3COO]- 316.14489 198.4
[M+Na-2H]- 278.10571 164.3
[M]+ 257.13049 162.0
[M]- 257.13159 162.0
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.