CID 13450

Terbutryn

Structural Information

Molecular Formula
C10H19N5S
SMILES
CCNC1=NC(=NC(=N1)SC)NC(C)(C)C
InChI
InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)
InChIKey
IROINLKCQGIITA-UHFFFAOYSA-N
Compound name
2-N-tert-butyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

152
References

29888
Patents

241.13612 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.14340 157.3
[M+Na]+ 264.12534 165.2
[M-H]- 240.12884 157.3
[M+NH4]+ 259.16994 171.5
[M+K]+ 280.09928 161.4
[M+H-H2O]+ 224.13338 149.2
[M+HCOO]- 286.13432 172.7
[M+CH3COO]- 300.14997 198.1
[M+Na-2H]- 262.11079 161.7
[M]+ 241.13557 159.7
[M]- 241.13667 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.