CID 146035700

N-ethylcarboxyl-terbutryn

Structural Information

Molecular Formula
C10H17N5O2S
SMILES
CC(C)(C)NC1=NC(=NC(=N1)NCC(=O)O)SC
InChI
InChI=1S/C10H17N5O2S/c1-10(2,3)15-8-12-7(11-5-6(16)17)13-9(14-8)18-4/h5H2,1-4H3,(H,16,17)(H2,11,12,13,14,15)
InChIKey
IKBUEYSUOKJGKM-UHFFFAOYSA-N
Compound name
2-[[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1103 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11758 162.2
[M+Na]+ 294.09952 170.5
[M+NH4]+ 289.14412 166.8
[M+K]+ 310.07346 165.6
[M-H]- 270.10302 161.1
[M+Na-2H]- 292.08497 165.3
[M]+ 271.10975 163.1
[M]- 271.11085 163.1
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.