CID 3050091

Morpholine, 4-(4-((5,6-dimethyl-2-phenyl-4-pyrimidinyl)amino)benzoyl)-

Structural Information

Molecular Formula
C23H24N4O2
SMILES
CC1=C(N=C(N=C1NC2=CC=C(C=C2)C(=O)N3CCOCC3)C4=CC=CC=C4)C
InChI
InChI=1S/C23H24N4O2/c1-16-17(2)24-22(18-6-4-3-5-7-18)26-21(16)25-20-10-8-19(9-11-20)23(28)27-12-14-29-15-13-27/h3-11H,12-15H2,1-2H3,(H,24,25,26)
InChIKey
XUDJLUAENMFVRE-UHFFFAOYSA-N
Compound name
[4-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1899 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19718 197.9
[M+Na]+ 411.17912 202.8
[M-H]- 387.18262 206.3
[M+NH4]+ 406.22372 202.4
[M+K]+ 427.15306 197.3
[M+H-H2O]+ 371.18716 184.3
[M+HCOO]- 433.18810 212.7
[M+CH3COO]- 447.20375 205.3
[M+Na-2H]- 409.16457 199.8
[M]+ 388.18935 194.5
[M]- 388.19045 194.5
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.