CID 38884

Bupirimate

Structural Information

Molecular Formula
C13H24N4O3S
SMILES
CCCCC1=C(N=C(N=C1OS(=O)(=O)N(C)C)NCC)C
InChI
InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)
InChIKey
DSKJPMWIHSOYEA-UHFFFAOYSA-N
Compound name
[5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylsulfamate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

19
References

29892
Patents

316.15692 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16420 173.5
[M+Na]+ 339.14614 180.7
[M-H]- 315.14964 176.0
[M+NH4]+ 334.19074 186.4
[M+K]+ 355.12008 178.3
[M+H-H2O]+ 299.15418 165.0
[M+HCOO]- 361.15512 190.6
[M+CH3COO]- 375.17077 214.2
[M+Na-2H]- 337.13159 175.7
[M]+ 316.15637 181.0
[M]- 316.15747 181.0
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.