CID 3050088

Morpholine, 4-(2-((2-(4-chlorophenyl)-6-methyl-4-pyrimidinyl)amino)benzoyl)-

Structural Information

Molecular Formula
C22H21ClN4O2
SMILES
CC1=CC(=NC(=N1)C2=CC=C(C=C2)Cl)NC3=CC=CC=C3C(=O)N4CCOCC4
InChI
InChI=1S/C22H21ClN4O2/c1-15-14-20(26-21(24-15)16-6-8-17(23)9-7-16)25-19-5-3-2-4-18(19)22(28)27-10-12-29-13-11-27/h2-9,14H,10-13H2,1H3,(H,24,25,26)
InChIKey
BWCQPEUCRORJDG-UHFFFAOYSA-N
Compound name
[2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.1353 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.14258 199.1
[M+Na]+ 431.12452 215.9
[M+NH4]+ 426.16912 206.0
[M+K]+ 447.09846 207.0
[M-H]- 407.12802 207.8
[M+Na-2H]- 429.10997 209.4
[M]+ 408.13475 204.3
[M]- 408.13585 204.3
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.