CID 4929

Prometryn

Structural Information

Molecular Formula
C10H19N5S
SMILES
CC(C)NC1=NC(=NC(=N1)SC)NC(C)C
InChI
InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)
InChIKey
AAEVYOVXGOFMJO-UHFFFAOYSA-N
Compound name
6-methylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1379
References

76641
Patents

241.13612 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.143396 155.4
[M+Na]+ 264.125338 162.4
[M-H]- 240.128844 155.3
[M+NH4]+ 259.169943 169.4
[M+K]+ 280.099278 159.2
[M+H-H2O]+ 224.133380 147.0
[M+HCOO]- 286.134321 170.3
[M+CH3COO]- 300.149971 200.1
[M+Na-2H]- 262.110786 157.2
[M]+ 241.13557142 157.3
[M]- 241.13666858 157.3
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