CID 505019

N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-n-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide

Structural Information

Molecular Formula
C29H26N4O3
SMILES
C1CCN(C1)C(=O)C2=CC(=CC=C2)N(CC3=CC4=CC=CC=C4C=C3)C(=O)CC(=O)C5=NC=CC=N5
InChI
InChI=1S/C29H26N4O3/c34-26(28-30-13-6-14-31-28)19-27(35)33(20-21-11-12-22-7-1-2-8-23(22)17-21)25-10-5-9-24(18-25)29(36)32-15-3-4-16-32/h1-2,5-14,17-18H,3-4,15-16,19-20H2
InChIKey
MVKBKGXGVIMGLY-UHFFFAOYSA-N
Compound name
N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-yl-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.2005 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.20778 214.0
[M+Na]+ 501.18972 215.4
[M-H]- 477.19322 223.3
[M+NH4]+ 496.23432 218.0
[M+K]+ 517.16366 209.9
[M+H-H2O]+ 461.19776 200.1
[M+HCOO]- 523.19870 228.4
[M+CH3COO]- 537.21435 219.6
[M+Na-2H]- 499.17517 212.7
[M]+ 478.19995 211.9
[M]- 478.20105 211.9
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.