CID 3050086

Benzamide, 4-((6-methyl-2-phenyl-4-pyrimidinyl)amino)-n-(2-(4-morpholinyl)ethyl)-

Structural Information

Molecular Formula
C24H27N5O2
SMILES
CC1=CC(=NC(=N1)C2=CC=CC=C2)NC3=CC=C(C=C3)C(=O)NCCN4CCOCC4
InChI
InChI=1S/C24H27N5O2/c1-18-17-22(28-23(26-18)19-5-3-2-4-6-19)27-21-9-7-20(8-10-21)24(30)25-11-12-29-13-15-31-16-14-29/h2-10,17H,11-16H2,1H3,(H,25,30)(H,26,27,28)
InChIKey
VKUJWFCUPCNRPZ-UHFFFAOYSA-N
Compound name
4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.21646 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.22374 203.1
[M+Na]+ 440.20568 205.6
[M-H]- 416.20918 210.8
[M+NH4]+ 435.25028 205.7
[M+K]+ 456.17962 200.0
[M+H-H2O]+ 400.21372 188.8
[M+HCOO]- 462.21466 218.6
[M+CH3COO]- 476.23031 209.2
[M+Na-2H]- 438.19113 206.3
[M]+ 417.21591 199.0
[M]- 417.21701 199.0
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.