CID 505120

2-chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxo-propanoyl]-(2-naphthylmethyl)amino]benzamide

Structural Information

Molecular Formula
C26H21ClN4O4
SMILES
COC1=NC(=NC=C1)C(=O)CC(=O)N(CC2=CC3=CC=CC=C3C=C2)C4=CC(=C(C=C4)C(=O)N)Cl
InChI
InChI=1S/C26H21ClN4O4/c1-35-23-10-11-29-26(30-23)22(32)14-24(33)31(19-8-9-20(25(28)34)21(27)13-19)15-16-6-7-17-4-2-3-5-18(17)12-16/h2-13H,14-15H2,1H3,(H2,28,34)
InChIKey
NZIAVVXKXRCKQP-UHFFFAOYSA-N
Compound name
2-chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.12512 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.13240 214.0
[M+Na]+ 511.11434 219.4
[M-H]- 487.11784 222.3
[M+NH4]+ 506.15894 218.9
[M+K]+ 527.08828 214.3
[M+H-H2O]+ 471.12238 201.9
[M+HCOO]- 533.12332 227.9
[M+CH3COO]- 547.13897 245.7
[M+Na-2H]- 509.09979 215.0
[M]+ 488.12457 218.8
[M]- 488.12567 218.8
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.