CID 139598311

Dtxsid001028596

Structural Information

Molecular Formula
C11H20N4O3S
SMILES
CCCCC1=C(N=C(N=C1OS(=O)(=O)N(C)C)N)C
InChI
InChI=1S/C11H20N4O3S/c1-5-6-7-9-8(2)13-11(12)14-10(9)18-19(16,17)15(3)4/h5-7H2,1-4H3,(H2,12,13,14)
InChIKey
ZZCAVGOHSIWLLC-UHFFFAOYSA-N
Compound name
(2-amino-5-butyl-6-methylpyrimidin-4-yl) N,N-dimethylsulfamate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

288.1256 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.13288 165.1
[M+Na]+ 311.11482 173.3
[M-H]- 287.11832 167.5
[M+NH4]+ 306.15942 178.9
[M+K]+ 327.08876 171.0
[M+H-H2O]+ 271.12286 157.1
[M+HCOO]- 333.12380 182.3
[M+CH3COO]- 347.13945 207.7
[M+Na-2H]- 309.10027 167.2
[M]+ 288.12505 170.9
[M]- 288.12615 170.9
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.