CID 3049972

65423-31-6

Structural Information

Molecular Formula
C18H23N3O
SMILES
CC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)NCCC(C)C
InChI
InChI=1S/C18H23N3O/c1-13(2)10-12-20-18(22)16-5-4-11-19-17(16)21-15-8-6-14(3)7-9-15/h4-9,11,13H,10,12H2,1-3H3,(H,19,21)(H,20,22)
InChIKey
FRYPJQVPJVDNLJ-UHFFFAOYSA-N
Compound name
2-(4-methylanilino)-N-(3-methylbutyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1841 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.191376 173.3
[M+Na]+ 320.173318 178.0
[M-H]- 296.176824 178.2
[M+NH4]+ 315.217923 186.4
[M+K]+ 336.147258 173.9
[M+H-H2O]+ 280.181360 163.9
[M+HCOO]- 342.182301 195.4
[M+CH3COO]- 356.197951 211.1
[M+Na-2H]- 318.158766 176.3
[M]+ 297.18355142 173.0
[M]- 297.18464858 173.0
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.