CID 13263

Ametryn

Structural Information

Molecular Formula
C9H17N5S
SMILES
CCNC1=NC(=NC(=N1)SC)NC(C)C
InChI
InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
InChIKey
RQVYBGPQFYCBGX-UHFFFAOYSA-N
Compound name
4-N-ethyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

167
References

22647
Patents

227.12047 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12775 150.9
[M+Na]+ 250.10969 161.3
[M+NH4]+ 245.15429 157.7
[M+K]+ 266.08363 154.1
[M-H]- 226.11319 152.2
[M+Na-2H]- 248.09514 155.9
[M]+ 227.11992 153.0
[M]- 227.12102 153.0
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

patents stripe