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]+ 395.17138 196.0
[M+Na]+ 417.15332 203.7
[M-H]- 393.15682 203.6
[M+NH4]+ 412.19792 203.6
[M+K]+ 433.12726 199.6
[M+H-H2O]+ 377.16136 184.3
[M+HCOO]- 439.16230 217.7
[M+CH3COO]- 453.17795 229.7
[M+Na-2H]- 415.13877 197.5
[M]+ 394.16355 200.0
[M]- 394.16465 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.