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 182.4
[M+Na]+ 371.11147 190.2
[M-H]- 347.11497 191.9
[M+NH4]+ 366.15607 191.5
[M+K]+ 387.08541 187.1
[M+H-H2O]+ 331.11951 172.1
[M+HCOO]- 393.12045 201.9
[M+CH3COO]- 407.13610 192.7
[M+Na-2H]- 369.09692 186.4
[M]+ 348.12170 183.2
[M]- 348.12280 183.2
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.