CID 537563

Prometryn sulfoxide

Structural Information

Molecular Formula
C10H19N5OS
SMILES
CC(C)NC1=NC(=NC(=N1)S(=O)C)NC(C)C
InChI
InChI=1S/C10H19N5OS/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)17(5)16/h6-7H,1-5H3,(H2,11,12,13,14,15)
InChIKey
HQYUMPWBGTUHSK-UHFFFAOYSA-N
Compound name
6-methylsulfinyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.13104 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13832 158.2
[M+Na]+ 280.12026 164.9
[M-H]- 256.12376 158.2
[M+NH4]+ 275.16486 171.3
[M+K]+ 296.09420 162.2
[M+H-H2O]+ 240.12830 149.8
[M+HCOO]- 302.12924 172.5
[M+CH3COO]- 316.14489 202.3
[M+Na-2H]- 278.10571 159.1
[M]+ 257.13049 160.2
[M]- 257.13159 160.2
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

No patent data available for this compound.