CID 505096

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

Structural Information

Molecular Formula
C28H22N4O2S
SMILES
CC1=CSC(=N1)C2=CC(=CC=C2)N(CC3=CC4=CC=CC=C4C=C3)C(=O)CC(=O)C5=NC=CC=N5
InChI
InChI=1S/C28H22N4O2S/c1-19-18-35-28(31-19)23-8-4-9-24(15-23)32(26(34)16-25(33)27-29-12-5-13-30-27)17-20-10-11-21-6-2-3-7-22(21)14-20/h2-15,18H,16-17H2,1H3
InChIKey
MYGZROBDZUNTSL-UHFFFAOYSA-N
Compound name
N-[3-(4-methyl-1,3-thiazol-2-yl)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

478.14636 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.15364 215.0
[M+Na]+ 501.13558 222.1
[M-H]- 477.13908 226.2
[M+NH4]+ 496.18018 221.0
[M+K]+ 517.10952 214.8
[M+H-H2O]+ 461.14362 202.9
[M+HCOO]- 523.14456 230.3
[M+CH3COO]- 537.16021 222.8
[M+Na-2H]- 499.12103 215.6
[M]+ 478.14581 219.7
[M]- 478.14691 219.7
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.