CID 478106

2-(3-methoxyphenyl)sulfonyl-6-sec-butoxy-pyrimidin-4-amine

Structural Information

Molecular Formula
C15H19N3O4S
SMILES
CCC(C)OC1=NC(=NC(=C1)N)S(=O)(=O)C2=CC=CC(=C2)OC
InChI
InChI=1S/C15H19N3O4S/c1-4-10(2)22-14-9-13(16)17-15(18-14)23(19,20)12-7-5-6-11(8-12)21-3/h5-10H,4H2,1-3H3,(H2,16,17,18)
InChIKey
PKGVWIQPJHWKMB-UHFFFAOYSA-N
Compound name
6-butan-2-yloxy-2-(3-methoxyphenyl)sulfonylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.10962 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.11690 176.9
[M+Na]+ 360.09884 184.9
[M-H]- 336.10234 181.0
[M+NH4]+ 355.14344 187.7
[M+K]+ 376.07278 181.0
[M+H-H2O]+ 320.10688 168.0
[M+HCOO]- 382.10782 192.0
[M+CH3COO]- 396.12347 210.0
[M+Na-2H]- 358.08429 179.1
[M]+ 337.10907 181.9
[M]- 337.11017 181.9
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.