CID 11956691

4-methyl-2,6-bis(phenylamino)nicotinonitrile

Structural Information

Molecular Formula
C19H16N4
SMILES
CC1=CC(=NC(=C1C#N)NC2=CC=CC=C2)NC3=CC=CC=C3
InChI
InChI=1S/C19H16N4/c1-14-12-18(21-15-8-4-2-5-9-15)23-19(17(14)13-20)22-16-10-6-3-7-11-16/h2-12H,1H3,(H2,21,22,23)
InChIKey
TYFMUVFYDRDOBX-UHFFFAOYSA-N
Compound name
2,6-dianilino-4-methylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

300.13748 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14476 176.8
[M+Na]+ 323.12670 185.8
[M-H]- 299.13020 182.5
[M+NH4]+ 318.17130 187.7
[M+K]+ 339.10064 177.6
[M+H-H2O]+ 283.13474 160.2
[M+HCOO]- 345.13568 196.9
[M+CH3COO]- 359.15133 185.5
[M+Na-2H]- 321.11215 181.8
[M]+ 300.13693 169.6
[M]- 300.13803 169.6
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

patents stripe