CID 505057

N-[3-[2-methoxyethyl(methyl)sulfamoyl]phenyl]-n-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide

Structural Information

Molecular Formula
C28H28N4O5S
SMILES
CN(CCOC)S(=O)(=O)C1=CC=CC(=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4
InChI
InChI=1S/C28H28N4O5S/c1-31(15-16-37-2)38(35,36)25-10-5-9-24(18-25)32(27(34)19-26(33)28-29-13-6-14-30-28)20-21-11-12-22-7-3-4-8-23(22)17-21/h3-14,17-18H,15-16,19-20H2,1-2H3
InChIKey
NFPUNAJGYKARIO-UHFFFAOYSA-N
Compound name
N-[3-[2-methoxyethyl(methyl)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

532.17804 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.18532 225.0
[M+Na]+ 555.16726 227.5
[M-H]- 531.17076 233.9
[M+NH4]+ 550.21186 227.9
[M+K]+ 571.14120 224.2
[M+H-H2O]+ 515.17530 212.4
[M+HCOO]- 577.17624 238.6
[M+CH3COO]- 591.19189 253.1
[M+Na-2H]- 553.15271 228.6
[M]+ 532.17749 231.7
[M]- 532.17859 231.7
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.