CID 3043892

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

Structural Information

Molecular Formula
C21H22N4O4
SMILES
CC1=CC(=NC(=N1)C2=CC(=C(C(=C2)OC)OC)OC)NC3=CC=C(C=C3)C(=O)N
InChI
InChI=1S/C21H22N4O4/c1-12-9-18(24-15-7-5-13(6-8-15)20(22)26)25-21(23-12)14-10-16(27-2)19(29-4)17(11-14)28-3/h5-11H,1-4H3,(H2,22,26)(H,23,24,25)
InChIKey
JKCIEZBEMDSXRD-UHFFFAOYSA-N
Compound name
4-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.1641 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.171376 196.0
[M+Na]+ 417.153318 203.7
[M-H]- 393.156824 203.6
[M+NH4]+ 412.197923 203.6
[M+K]+ 433.127258 199.6
[M+H-H2O]+ 377.161360 184.3
[M+HCOO]- 439.162301 217.7
[M+CH3COO]- 453.177951 229.7
[M+Na-2H]- 415.138766 197.5
[M]+ 394.16355142 200.0
[M]- 394.16464858 200.0
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.