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 162.7
[M+Na]+ 294.09952 169.7
[M-H]- 270.10302 161.3
[M+NH4]+ 289.14412 174.6
[M+K]+ 310.07346 166.0
[M+H-H2O]+ 254.10756 154.8
[M+HCOO]- 316.10850 176.2
[M+CH3COO]- 330.12415 199.9
[M+Na-2H]- 292.08497 166.1
[M]+ 271.10975 164.6
[M]- 271.11085 164.6
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.