CID 505038

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

Structural Information

Molecular Formula
C27H26N4O4S
SMILES
CC1=NC(=NC=C1)C(=O)CC(=O)N(CC2=CC3=CC=CC=C3C=C2)C4=CC(=CC=C4)S(=O)(=O)N(C)C
InChI
InChI=1S/C27H26N4O4S/c1-19-13-14-28-27(29-19)25(32)17-26(33)31(18-20-11-12-21-7-4-5-8-22(21)15-20)23-9-6-10-24(16-23)36(34,35)30(2)3/h4-16H,17-18H2,1-3H3
InChIKey
KPNJRJJGVDJVIP-UHFFFAOYSA-N
Compound name
N-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylpyrimidin-2-yl)-N-(naphthalen-2-ylmethyl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.16748 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.17476 219.0
[M+Na]+ 525.15670 223.3
[M-H]- 501.16020 228.6
[M+NH4]+ 520.20130 223.7
[M+K]+ 541.13064 219.4
[M+H-H2O]+ 485.16474 207.0
[M+HCOO]- 547.16568 232.8
[M+CH3COO]- 561.18133 249.6
[M+Na-2H]- 523.14215 222.0
[M]+ 502.16693 224.7
[M]- 502.16803 224.7
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.