CID 720149

1,3-benzenedicarboxamide, n,n'-bis(6-methyl-2-pyridinyl)-

Structural Information

Molecular Formula
C20H18N4O2
SMILES
CC1=NC(=CC=C1)NC(=O)C2=CC(=CC=C2)C(=O)NC3=CC=CC(=N3)C
InChI
InChI=1S/C20H18N4O2/c1-13-6-3-10-17(21-13)23-19(25)15-8-5-9-16(12-15)20(26)24-18-11-4-7-14(2)22-18/h3-12H,1-2H3,(H,21,23,25)(H,22,24,26)
InChIKey
NATVKKXERQXPEP-UHFFFAOYSA-N
Compound name
1-N,3-N-bis(6-methylpyridin-2-yl)benzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10
Patents

346.14297 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15025 183.1
[M+Na]+ 369.13219 189.2
[M-H]- 345.13569 190.3
[M+NH4]+ 364.17679 192.2
[M+K]+ 385.10613 183.8
[M+H-H2O]+ 329.14023 171.8
[M+HCOO]- 391.14117 204.8
[M+CH3COO]- 405.15682 217.9
[M+Na-2H]- 367.11764 187.3
[M]+ 346.14242 182.3
[M]- 346.14352 182.3
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.