CID 660897

Brn 5440409

Structural Information

Molecular Formula
C16H18N4
SMILES
CC1=CC(=C(C(=N1)NCC2=CC=CC=C2)C#N)N(C)C
InChI
InChI=1S/C16H18N4/c1-12-9-15(20(2)3)14(10-17)16(19-12)18-11-13-7-5-4-6-8-13/h4-9H,11H2,1-3H3,(H,18,19)
InChIKey
NKIDELMZCLMHBH-UHFFFAOYSA-N
Compound name
2-(benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

0
Patents

266.15314 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.16042 167.2
[M+Na]+ 289.14236 180.1
[M+NH4]+ 284.18696 171.9
[M+K]+ 305.11630 169.2
[M-H]- 265.14586 165.2
[M+Na-2H]- 287.12781 173.2
[M]+ 266.15259 167.7
[M]- 266.15369 167.7
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

No patent data available for this compound.