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

literature stripe

Patent stripe

patents stripe