CID 3043890

Benzamide, 2-((2-(1,3-benzodioxol-5-yl)-6-methyl-4-pyrimidinyl)amino)-

Structural Information

Molecular Formula
C19H16N4O3
SMILES
CC1=CC(=NC(=N1)C2=CC3=C(C=C2)OCO3)NC4=CC=CC=C4C(=O)N
InChI
InChI=1S/C19H16N4O3/c1-11-8-17(22-14-5-3-2-4-13(14)18(20)24)23-19(21-11)12-6-7-15-16(9-12)26-10-25-15/h2-9H,10H2,1H3,(H2,20,24)(H,21,22,23)
InChIKey
YYNWXEWGZXCIPX-UHFFFAOYSA-N
Compound name
2-[[2-(1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-yl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.12225 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.12953 182.5
[M+Na]+ 371.11147 196.6
[M+NH4]+ 366.15607 189.1
[M+K]+ 387.08541 192.5
[M-H]- 347.11497 190.9
[M+Na-2H]- 369.09692 189.6
[M]+ 348.12170 186.8
[M]- 348.12280 186.8
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.