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

27342
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 159.6
[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

literature stripe

Patent stripe

patents stripe