CID 49767419

823220-83-3

Structural Information

Molecular Formula
C13H21N3O2S
SMILES
CCCN(CCC)C1=NC(=NC(=C1)C=C)S(=O)(=O)C
InChI
InChI=1S/C13H21N3O2S/c1-5-8-16(9-6-2)12-10-11(7-3)14-13(15-12)19(4,17)18/h7,10H,3,5-6,8-9H2,1-2,4H3
InChIKey
QRGFGBFJDMXKOW-UHFFFAOYSA-N
Compound name
6-ethenyl-2-methylsulfonyl-N,N-dipropylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.13544 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14272 165.3
[M+Na]+ 306.12466 173.3
[M-H]- 282.12816 167.8
[M+NH4]+ 301.16926 179.8
[M+K]+ 322.09860 169.9
[M+H-H2O]+ 266.13270 157.4
[M+HCOO]- 328.13364 181.6
[M+CH3COO]- 342.14929 204.9
[M+Na-2H]- 304.11011 167.4
[M]+ 283.13489 171.2
[M]- 283.13599 171.2
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.