CID 37093

Benzeneacetamide, 4-(((5-(2-methylpropyl)-2-pyrimidinyl)amino)sulfonyl)-n-(1-phenylethyl)-, (s)-

Structural Information

Molecular Formula
C24H28N4O3S
SMILES
C[C@@H](C1=CC=CC=C1)NC(=O)CC2=CC=C(C=C2)S(=O)(=O)NC3=NC=C(C=N3)CC(C)C
InChI
InChI=1S/C24H28N4O3S/c1-17(2)13-20-15-25-24(26-16-20)28-32(30,31)22-11-9-19(10-12-22)14-23(29)27-18(3)21-7-5-4-6-8-21/h4-12,15-18H,13-14H2,1-3H3,(H,27,29)(H,25,26,28)/t18-/m0/s1
InChIKey
WWESVZFJIIMLNW-SFHVURJKSA-N
Compound name
2-[4-[[5-(2-methylpropyl)pyrimidin-2-yl]sulfamoyl]phenyl]-N-[(1S)-1-phenylethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

452.1882 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.19548 207.7
[M+Na]+ 475.17742 211.0
[M-H]- 451.18092 213.9
[M+NH4]+ 470.22202 212.6
[M+K]+ 491.15136 205.3
[M+H-H2O]+ 435.18546 196.7
[M+HCOO]- 497.18640 220.8
[M+CH3COO]- 511.20205 235.2
[M+Na-2H]- 473.16287 209.2
[M]+ 452.18765 209.7
[M]- 452.18875 209.7
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.