CID 505106

N-isopropyl-4-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzamide

Structural Information

Molecular Formula
C28H26N4O3
SMILES
CC(C)NC(=O)C1=CC=C(C=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4
InChI
InChI=1S/C28H26N4O3/c1-19(2)31-28(35)22-10-12-24(13-11-22)32(26(34)17-25(33)27-29-14-5-15-30-27)18-20-8-9-21-6-3-4-7-23(21)16-20/h3-16,19H,17-18H2,1-2H3,(H,31,35)
InChIKey
NADREXZVUBVDTA-UHFFFAOYSA-N
Compound name
4-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]-N-propan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.2005 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.20778 213.0
[M+Na]+ 489.18972 214.8
[M-H]- 465.19322 220.7
[M+NH4]+ 484.23432 217.4
[M+K]+ 505.16366 210.5
[M+H-H2O]+ 449.19776 199.9
[M+HCOO]- 511.19870 230.1
[M+CH3COO]- 525.21435 244.0
[M+Na-2H]- 487.17517 214.5
[M]+ 466.19995 213.6
[M]- 466.20105 213.6
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.