CID 505059

2,2,n-trimethyl-n-{3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-yl-propionyl)-amino]-phenyl}-propionamide

Structural Information

Molecular Formula
C30H30N4O3
SMILES
CC(C)(C)C(=O)N(C)C1=CC(=CC=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4
InChI
InChI=1S/C30H30N4O3/c1-30(2,3)29(37)33(4)24-11-7-12-25(18-24)34(27(36)19-26(35)28-31-15-8-16-32-28)20-21-13-14-22-9-5-6-10-23(22)17-21/h5-18H,19-20H2,1-4H3
InChIKey
HJWPOKJWKKQJAC-UHFFFAOYSA-N
Compound name
N,2,2-trimethyl-N-[3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.23178 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.23906 221.4
[M+Na]+ 517.22100 223.2
[M-H]- 493.22450 230.5
[M+NH4]+ 512.26560 225.6
[M+K]+ 533.19494 220.0
[M+H-H2O]+ 477.22904 208.3
[M+HCOO]- 539.22998 237.6
[M+CH3COO]- 553.24563 251.6
[M+Na-2H]- 515.20645 223.4
[M]+ 494.23123 223.9
[M]- 494.23233 223.9
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.