CID 505091

N-[4-(methyl-phenyl-sulfamoyl)-phenyl]-n-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide

Structural Information

Molecular Formula
C31H26N4O4S
SMILES
CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)N(CC3=CC4=CC=CC=C4C=C3)C(=O)CC(=O)C5=NC=CC=N5
InChI
InChI=1S/C31H26N4O4S/c1-34(26-10-3-2-4-11-26)40(38,39)28-16-14-27(15-17-28)35(30(37)21-29(36)31-32-18-7-19-33-31)22-23-12-13-24-8-5-6-9-25(24)20-23/h2-20H,21-22H2,1H3
InChIKey
SDOTTXRWKWDYQN-UHFFFAOYSA-N
Compound name
N-[4-[methyl(phenyl)sulfamoyl]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

550.1675 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.17478 228.6
[M+Na]+ 573.15672 231.2
[M-H]- 549.16022 240.2
[M+NH4]+ 568.20132 230.1
[M+K]+ 589.13066 226.5
[M+H-H2O]+ 533.16476 215.0
[M+HCOO]- 595.16570 242.0
[M+CH3COO]- 609.18135 234.1
[M+Na-2H]- 571.14217 233.1
[M]+ 550.16695 232.0
[M]- 550.16805 232.0
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.