CID 505119

3-[[3-(4-methoxypyrimidin-2-yl)-3-oxo-propanoyl]-(2-naphthylmethyl)amino]-n,n-dimethyl-benzamide

Structural Information

Molecular Formula
C28H26N4O4
SMILES
CN(C)C(=O)C1=CC(=CC=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC(=N4)OC
InChI
InChI=1S/C28H26N4O4/c1-31(2)28(35)22-9-6-10-23(16-22)32(18-19-11-12-20-7-4-5-8-21(20)15-19)26(34)17-24(33)27-29-14-13-25(30-27)36-3/h4-16H,17-18H2,1-3H3
InChIKey
FNNVSRSTNNLXRH-UHFFFAOYSA-N
Compound name
3-[[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.1954 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.20268 216.7
[M+Na]+ 505.18462 219.6
[M-H]- 481.18812 226.2
[M+NH4]+ 500.22922 221.3
[M+K]+ 521.15856 216.9
[M+H-H2O]+ 465.19266 203.2
[M+HCOO]- 527.19360 235.3
[M+CH3COO]- 541.20925 249.6
[M+Na-2H]- 503.17007 218.0
[M]+ 482.19485 220.9
[M]- 482.19595 220.9
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.