CID 6426755

253688-60-7

Structural Information

Molecular Formula
C27H29N5O7S
SMILES
CC(C)(CO)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC
InChI
InChI=1S/C27H29N5O7S/c1-27(2,17-34)18-9-11-19(12-10-18)40(35,36)32-23-22(39-21-8-5-4-7-20(21)37-3)26(38-16-15-33)31-25(30-23)24-28-13-6-14-29-24/h4-14,33-34H,15-17H2,1-3H3,(H,30,31,32)
InChIKey
FAJQMBCLPZWTQJ-UHFFFAOYSA-N
Compound name
N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

18
Patents

567.1788 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.18608 232.7
[M+Na]+ 590.16802 237.2
[M-H]- 566.17152 237.6
[M+NH4]+ 585.21262 228.8
[M+K]+ 606.14196 231.5
[M+H-H2O]+ 550.17606 219.8
[M+HCOO]- 612.17700 240.8
[M+CH3COO]- 626.19265 247.9
[M+Na-2H]- 588.15347 237.5
[M]+ 567.17825 238.6
[M]- 567.17935 238.6
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.