CID 504977

N-(4-dimethylsulfamoyl-phenyl)-n-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide

Structural Information

Molecular Formula
C26H24N4O4S
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4
InChI
InChI=1S/C26H24N4O4S/c1-29(2)35(33,34)23-12-10-22(11-13-23)30(25(32)17-24(31)26-27-14-5-15-28-26)18-19-8-9-20-6-3-4-7-21(20)16-19/h3-16H,17-18H2,1-2H3
InChIKey
LZIOTCVEBCFYEN-UHFFFAOYSA-N
Compound name
N-[4-(dimethylsulfamoyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.15182 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.15910 214.3
[M+Na]+ 511.14104 218.2
[M-H]- 487.14454 223.7
[M+NH4]+ 506.18564 219.2
[M+K]+ 527.11498 214.3
[M+H-H2O]+ 471.14908 202.3
[M+HCOO]- 533.15002 228.4
[M+CH3COO]- 547.16567 245.4
[M+Na-2H]- 509.12649 218.4
[M]+ 488.15127 219.1
[M]- 488.15237 219.1
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.