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

76446
Patents

241.13612 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.14340 155.4
[M+Na]+ 264.12534 162.4
[M-H]- 240.12884 155.3
[M+NH4]+ 259.16994 169.4
[M+K]+ 280.09928 159.2
[M+H-H2O]+ 224.13338 147.0
[M+HCOO]- 286.13432 170.3
[M+CH3COO]- 300.14997 200.1
[M+Na-2H]- 262.11079 157.2
[M]+ 241.13557 157.3
[M]- 241.13667 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.