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 165.9
[M+Na]+ 289.14236 174.6
[M-H]- 265.14586 170.9
[M+NH4]+ 284.18696 179.3
[M+K]+ 305.11630 170.1
[M+H-H2O]+ 249.15040 150.3
[M+HCOO]- 311.15134 186.5
[M+CH3COO]- 325.16699 217.9
[M+Na-2H]- 287.12781 169.8
[M]+ 266.15259 161.4
[M]- 266.15369 161.4
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.