CID 505030

N-(3-morpholinosulfonylphenyl)-n-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide

Structural Information

Molecular Formula
C28H26N4O5S
SMILES
C1COCCN1S(=O)(=O)C2=CC=CC(=C2)N(CC3=CC4=CC=CC=C4C=C3)C(=O)CC(=O)C5=NC=CC=N5
InChI
InChI=1S/C28H26N4O5S/c33-26(28-29-11-4-12-30-28)19-27(34)32(20-21-9-10-22-5-1-2-6-23(22)17-21)24-7-3-8-25(18-24)38(35,36)31-13-15-37-16-14-31/h1-12,17-18H,13-16,19-20H2
InChIKey
HWLIHQZJIFXODS-UHFFFAOYSA-N
Compound name
N-(3-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.1624 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.16968 220.7
[M+Na]+ 553.15162 222.8
[M-H]- 529.15512 229.9
[M+NH4]+ 548.19622 220.1
[M+K]+ 569.12556 219.1
[M+H-H2O]+ 513.15966 207.5
[M+HCOO]- 575.16060 228.0
[M+CH3COO]- 589.17625 225.4
[M+Na-2H]- 551.13707 224.1
[M]+ 530.16185 221.0
[M]- 530.16295 221.0
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.