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]+ 298.19138 173.3
[M+Na]+ 320.17332 178.0
[M-H]- 296.17682 178.2
[M+NH4]+ 315.21792 186.4
[M+K]+ 336.14726 173.9
[M+H-H2O]+ 280.18136 163.9
[M+HCOO]- 342.18230 195.4
[M+CH3COO]- 356.19795 211.1
[M+Na-2H]- 318.15877 176.3
[M]+ 297.18355 173.0
[M]- 297.18465 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.