CID 3043891

Morpholine, 4-(4-((6-methyl-2-(3,4,5-trimethoxyphenyl)-4-pyrimidinyl)amino)benzoyl)-

Structural Information

Molecular Formula
C25H28N4O5
SMILES
CC1=CC(=NC(=N1)C2=CC(=C(C(=C2)OC)OC)OC)NC3=CC=C(C=C3)C(=O)N4CCOCC4
InChI
InChI=1S/C25H28N4O5/c1-16-13-22(27-19-7-5-17(6-8-19)25(30)29-9-11-34-12-10-29)28-24(26-16)18-14-20(31-2)23(33-4)21(15-18)32-3/h5-8,13-15H,9-12H2,1-4H3,(H,26,27,28)
InChIKey
JMWCYVHRHTXAHC-UHFFFAOYSA-N
Compound name
[4-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.20596 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.21324 214.8
[M+Na]+ 487.19518 229.4
[M+NH4]+ 482.23978 219.2
[M+K]+ 503.16912 222.9
[M-H]- 463.19868 222.3
[M+Na-2H]- 485.18063 222.7
[M]+ 464.20541 218.9
[M]- 464.20651 218.9
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.